N-(1,1-dimethylsilinan-4-yl)-2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

C20H25N3O2SSi — CID 156715565

IUPACN-(1,1-dimethylsilinan-4-yl)-2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOc1ccccc1-c1nc2[nH]c(C(=O)NC3CC[Si](C)(C)CC3)cc2s1
InChIInChI=1S/C20H25N3O2SSi/c1-25-16-7-5-4-6-14(16)20-23-18-17(26-20)12-15(22-18)19(24)21-13-8-10-27(2,3)11-9-13/h4-7,12-13,22H,8-11H2,1-3H3,(H,21,24)
InChIKeyNKHZNTYWKGDSFJ-UHFFFAOYSA-N
MW399.59 g/mol
LogP4.90
Rot. Bonds4

About N-(1,1-dimethylsilinan-4-yl)-2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide

N-(1,1-dimethylsilinan-4-yl)-2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 156715565) has the molecular formula C20H25N3O2SSi and a molecular weight of 399.59 g/mol. Its IUPAC name is N-(1,1-dimethylsilinan-4-yl)-2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,1-dimethylsilinan-4-yl)-2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID156715565
Molecular FormulaC20H25N3O2SSi
Molecular Weight399.59 g/mol
Exact Mass399.14
IUPAC NameN-(1,1-dimethylsilinan-4-yl)-2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOc1ccccc1-c1nc2[nH]c(C(=O)NC3CC[Si](C)(C)CC3)cc2s1
InChIInChI=1S/C20H25N3O2SSi/c1-25-16-7-5-4-6-14(16)20-23-18-17(26-20)12-15(22-18)19(24)21-13-8-10-27(2,3)11-9-13/h4-7,12-13,22H,8-11H2,1-3H3,(H,21,24)
InChIKeyNKHZNTYWKGDSFJ-UHFFFAOYSA-N
XLogP4.90
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.59
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 175268854
CID 175268854
2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 175742864
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
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
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
N-[(6S)-2,2-dimethylazasilepan-6-yl]-2-methoxy-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 175268754
4-chloro-N-(1,1-dimethylsilinan-4-yl)-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715187
N-cyclopropyl-3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333079
N-(1,1-dimethylsilinan-4-yl)-4,5-difluoro-6-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715366
N-(1,1-dimethylsilinan-4-yl)-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715500
N-(1,1-dimethylsilinan-4-yl)-4-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 156715362
2-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427033

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethylsilinan-4-yl)-2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(1,1-dimethylsilinan-4-yl)-2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide (CID 156715565) is N-(1,1-dimethylsilinan-4-yl)-2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(1,1-dimethylsilinan-4-yl)-2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(1,1-dimethylsilinan-4-yl)-2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is COc1ccccc1-c1nc2[nH]c(C(=O)NC3CC[Si](C)(C)CC3)cc2s1.
What is the InChIKey of N-(1,1-dimethylsilinan-4-yl)-2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is NKHZNTYWKGDSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2SSi/c1-25-16-7-5-4-6-14(16)20-23-18-17(26-20)12-15(22-18)19(24)21-13-8-10-27(2,3)11-9-13/h4-7,12-13,22H,8-11H2,1-3H3,(H,21,24).
What are the key properties of N-(1,1-dimethylsilinan-4-yl)-2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide?
N-(1,1-dimethylsilinan-4-yl)-2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 399.59 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethylsilinan-4-yl)-2-(2-methoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 156715565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).