2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide

C16H19N5OS — CID 33283365

IUPAC2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCc1nc(-c2cc(C)n(CC(=O)Nc3ccn(C)n3)c2C)cs1
InChIInChI=1S/C16H19N5OS/c1-10-7-13(14-9-23-12(3)17-14)11(2)21(10)8-16(22)18-15-5-6-20(4)19-15/h5-7,9H,8H2,1-4H3,(H,18,19,22)
InChIKeyBZIZZBMNGRVDAO-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.91
Rot. Bonds4

About 2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide

2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 33283365) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is 2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID33283365
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCc1nc(-c2cc(C)n(CC(=O)Nc3ccn(C)n3)c2C)cs1
InChIInChI=1S/C16H19N5OS/c1-10-7-13(14-9-23-12(3)17-14)11(2)21(10)8-16(22)18-15-5-6-20(4)19-15/h5-7,9H,8H2,1-4H3,(H,18,19,22)
InChIKeyBZIZZBMNGRVDAO-UHFFFAOYSA-N
XLogP2.91
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-bromophenyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetohydrazide
CID 75402686
N-(cyclobutylmethyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetamide
CID 38653658
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 24631708
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 24631847
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 24631725
methyl 3-[[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetyl]amino]-3-phenylpropanoate
CID 24631892
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 24631819
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24631881
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(oxolan-3-ylmethyl)acetamide
CID 51079019
(3S)-3-[[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetyl]amino]-N-ethylpyrrolidine-1-carboxamide
CID 96542189
N-[(5-bromothiophen-2-yl)methyl]-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-methylacetamide
CID 24631782
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 24686776

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide (CID 33283365) is 2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide is Cc1nc(-c2cc(C)n(CC(=O)Nc3ccn(C)n3)c2C)cs1.
What is the InChIKey of 2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is BZIZZBMNGRVDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-10-7-13(14-9-23-12(3)17-14)11(2)21(10)8-16(22)18-15-5-6-20(4)19-15/h5-7,9H,8H2,1-4H3,(H,18,19,22).
What are the key properties of 2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide?
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 329.43 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 33283365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).