2-cyclopentyloxy-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

C18H28N4O2SSi — CID 175268771

IUPAC2-cyclopentyloxy-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESC[Si]1(C)CCCC(NC(=O)c2cc3sc(OC4CCCC4)nc3[nH]2)NC1
InChIInChI=1S/C18H28N4O2SSi/c1-26(2)9-5-8-15(19-11-26)21-17(23)13-10-14-16(20-13)22-18(25-14)24-12-6-3-4-7-12/h10,12,15,19-20H,3-9,11H2,1-2H3,(H,21,23)
InChIKeyOWESMFDWYDFDCY-UHFFFAOYSA-N
MW392.60 g/mol
LogP3.63
Rot. Bonds4

About 2-cyclopentyloxy-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

2-cyclopentyloxy-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 175268771) has the molecular formula C18H28N4O2SSi and a molecular weight of 392.60 g/mol. Its IUPAC name is 2-cyclopentyloxy-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopentyloxy-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID175268771
Molecular FormulaC18H28N4O2SSi
Molecular Weight392.60 g/mol
Exact Mass392.17
IUPAC Name2-cyclopentyloxy-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESC[Si]1(C)CCCC(NC(=O)c2cc3sc(OC4CCCC4)nc3[nH]2)NC1
InChIInChI=1S/C18H28N4O2SSi/c1-26(2)9-5-8-15(19-11-26)21-17(23)13-10-14-16(20-13)22-18(25-14)24-12-6-3-4-7-12/h10,12,15,19-20H,3-9,11H2,1-2H3,(H,21,23)
InChIKeyOWESMFDWYDFDCY-UHFFFAOYSA-N
XLogP3.63
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.60
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 175284206
N-[(6S)-2,2-dimethylazasilepan-6-yl]-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 175268754
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
N-(1,1-dimethylsilinan-4-yl)-2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 156715565
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
4-chloro-N-(1,1-dimethylsilocan-5-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715462
2-cyclopropyl-N-(5,5-dimethylcyclooctyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 175268698
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
4-chloro-N-(1,1-dimethylsilinan-4-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715187
4-chloro-N-(2,2-dimethylazasilepan-6-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 175284207
N-cyclooctyl-6-hydroxy-1H-indole-2-carboxamide
CID 171355249
CID 175268854
CID 175268854

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-cyclopentyloxy-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (CID 175268771) is 2-cyclopentyloxy-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-cyclopentyloxy-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-cyclopentyloxy-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is C[Si]1(C)CCCC(NC(=O)c2cc3sc(OC4CCCC4)nc3[nH]2)NC1.
What is the InChIKey of 2-cyclopentyloxy-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is OWESMFDWYDFDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2SSi/c1-26(2)9-5-8-15(19-11-26)21-17(23)13-10-14-16(20-13)22-18(25-14)24-12-6-3-4-7-12/h10,12,15,19-20H,3-9,11H2,1-2H3,(H,21,23).
What are the key properties of 2-cyclopentyloxy-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
2-cyclopentyloxy-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 392.60 g/mol, XLogP of 3.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-N-(3,3-dimethyl-1,3-azasilepan-7-yl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 175268771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).