2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-cyclopropyl-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid;1,1-dimethylsilocan-4-amine

C38H60N6O3S2Si2 — CID 167654629

IUPAC2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-cyclopropyl-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid;1,1-dimethylsilocan-4-amine
SMILESC[Si]1(C)CCCCC(N)CC1.Cc1c(C(=O)NC2CCCC[Si](C)(C)CC2)[nH]c2nc(C3CC3)sc12.Cc1c(C(=O)O)[nH]c2nc(C3CC3)sc12
InChIInChI=1S/C19H29N3OSSi.C10H10N2O2S.C9H21NSi/c1-12-15(21-17-16(12)24-19(22-17)13-7-8-13)18(23)20-14-6-4-5-10-25(2,3)11-9-14;1-4-6(10(13)14)11-8-7(4)15-9(12-8)5-2-3-5;1-11(2)7-4-3-5-9(10)6-8-11/h13-14,21H,4-11H2,1-3H3,(H,20,23);5,11H,2-3H2,1H3,(H,13,14);9H,3-8,10H2,1-2H3
InChIKeyRBONQDYCDCPXOG-UHFFFAOYSA-N
MW769.24 g/mol
LogP10.30
Rot. Bonds5

About 2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-cyclopropyl-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid;1,1-dimethylsilocan-4-amine

2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-cyclopropyl-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid;1,1-dimethylsilocan-4-amine (PubChem CID 167654629) has the molecular formula C38H60N6O3S2Si2 and a molecular weight of 769.24 g/mol. Its IUPAC name is 2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-cyclopropyl-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid;1,1-dimethylsilocan-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-cyclopropyl-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid;1,1-dimethylsilocan-4-amine
PubChem CID167654629
Molecular FormulaC38H60N6O3S2Si2
Molecular Weight769.24 g/mol
Exact Mass768.37
IUPAC Name2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-cyclopropyl-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid;1,1-dimethylsilocan-4-amine
SMILESC[Si]1(C)CCCCC(N)CC1.Cc1c(C(=O)NC2CCCC[Si](C)(C)CC2)[nH]c2nc(C3CC3)sc12.Cc1c(C(=O)O)[nH]c2nc(C3CC3)sc12
InChIInChI=1S/C19H29N3OSSi.C10H10N2O2S.C9H21NSi/c1-12-15(21-17-16(12)24-19(22-17)13-7-8-13)18(23)20-14-6-4-5-10-25(2,3)11-9-14;1-4-6(10(13)14)11-8-7(4)15-9(12-8)5-2-3-5;1-11(2)7-4-3-5-9(10)6-8-11/h13-14,21H,4-11H2,1-3H3,(H,20,23);5,11H,2-3H2,1H3,(H,13,14);9H,3-8,10H2,1-2H3
InChIKeyRBONQDYCDCPXOG-UHFFFAOYSA-N
XLogP10.30
TPSA149.78 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.24
LogP ≤ 510.30
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-cyclopropyl-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid;1,1-dimethylsilocan-4-amine with MolForge

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Related Compounds

1,1-dimethylsilinan-4-amine;N-(1,1-dimethylsilinan-4-yl)-2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CID 167649955
1,1-dimethylsilepan-4-amine;N-(1,1-dimethylsilepan-4-yl)-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4S)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;N-[(4R)-1,1-dimethylsilepan-4-yl]-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CID 167541621
2-cyclopropyl-N-(5,5-dimethylcyclooctyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 175268698
2-cyclopentyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119428648
1,1-dimethylsilolan-3-amine;N-(1,1-dimethylsilolan-3-yl)-2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CID 167671402
N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9123260
(5-aminocyclooctyl)carbamic acid
CID 89189209
3-[3-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclobutyl]propanoic acid
CID 154845596
2-(aminomethyl)-N-cyclopentyl-4-methyl-1,3-thiazole-5-carboxamide
CID 82117272
N-cyclopentyl-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110848761
N-cyclohexyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 110676616
2-chloro-N-cycloheptyl-4-methyl-1,3-thiazole-5-carboxamide
CID 91821812

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-cyclopropyl-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid;1,1-dimethylsilocan-4-amine?
The IUPAC name of 2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-cyclopropyl-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid;1,1-dimethylsilocan-4-amine (CID 167654629) is 2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-cyclopropyl-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid;1,1-dimethylsilocan-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-cyclopropyl-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid;1,1-dimethylsilocan-4-amine?
The canonical SMILES for 2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-cyclopropyl-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid;1,1-dimethylsilocan-4-amine is C[Si]1(C)CCCCC(N)CC1.Cc1c(C(=O)NC2CCCC[Si](C)(C)CC2)[nH]c2nc(C3CC3)sc12.Cc1c(C(=O)O)[nH]c2nc(C3CC3)sc12.
What is the InChIKey of 2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-cyclopropyl-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid;1,1-dimethylsilocan-4-amine?
The InChIKey is RBONQDYCDCPXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3OSSi.C10H10N2O2S.C9H21NSi/c1-12-15(21-17-16(12)24-19(22-17)13-7-8-13)18(23)20-14-6-4-5-10-25(2,3)11-9-14;1-4-6(10(13)14)11-8-7(4)15-9(12-8)5-2-3-5;1-11(2)7-4-3-5-9(10)6-8-11/h13-14,21H,4-11H2,1-3H3,(H,20,23);5,11H,2-3H2,1H3,(H,13,14);9H,3-8,10H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-cyclopropyl-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid;1,1-dimethylsilocan-4-amine?
2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-cyclopropyl-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid;1,1-dimethylsilocan-4-amine has a molecular weight of 769.24 g/mol, XLogP of 10.30, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(1,1-dimethylsilocan-4-yl)-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide;2-cyclopropyl-6-methyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid;1,1-dimethylsilocan-4-amine is sourced from PubChem (CID 167654629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).