4-[2-[3-(2,4-dimethylphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

C19H20N4O2S — CID 55530961

IUPAC4-[2-[3-(2,4-dimethylphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
SMILESCc1ccc(CCC(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)c(C)c1
InChIInChI=1S/C19H20N4O2S/c1-11-3-4-13(12(2)7-11)5-6-17(24)23-19-22-16(10-26-19)14-8-15(18(20)25)21-9-14/h3-4,7-10,21H,5-6H2,1-2H3,(H2,20,25)(H,22,23,24)
InChIKeyMUIYBXPBSQLBLW-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.43
Rot. Bonds6

About 4-[2-[3-(2,4-dimethylphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

4-[2-[3-(2,4-dimethylphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 55530961) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-[2-[3-(2,4-dimethylphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2-[3-(2,4-dimethylphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID55530961
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name4-[2-[3-(2,4-dimethylphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
SMILESCc1ccc(CCC(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)c(C)c1
InChIInChI=1S/C19H20N4O2S/c1-11-3-4-13(12(2)7-11)5-6-17(24)23-19-22-16(10-26-19)14-8-15(18(20)25)21-9-14/h3-4,7-10,21H,5-6H2,1-2H3,(H2,20,25)(H,22,23,24)
InChIKeyMUIYBXPBSQLBLW-UHFFFAOYSA-N
XLogP3.43
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[3-(2-hydroxyphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 38151893
4-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 55527955
4-[2-[(2-methylsulfanylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 47152417
ethyl 2-[3-(2,4-dimethylphenyl)propanoylamino]-1,3-thiazole-4-carboxylate
CID 51294869
4-[2-[[2-(2,4-dichlorophenyl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 46531472
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 78845131
4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 47019644
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(2,4-dimethylphenyl)propanamide
CID 32868420
4-[2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 38153821
4-[2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 134053369
4-[2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 56551090
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 46603699

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(2,4-dimethylphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[2-[3-(2,4-dimethylphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide (CID 55530961) is 4-[2-[3-(2,4-dimethylphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[2-[3-(2,4-dimethylphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[2-[3-(2,4-dimethylphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide is Cc1ccc(CCC(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)c(C)c1.
What is the InChIKey of 4-[2-[3-(2,4-dimethylphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is MUIYBXPBSQLBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-11-3-4-13(12(2)7-11)5-6-17(24)23-19-22-16(10-26-19)14-8-15(18(20)25)21-9-14/h3-4,7-10,21H,5-6H2,1-2H3,(H2,20,25)(H,22,23,24).
What are the key properties of 4-[2-[3-(2,4-dimethylphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
4-[2-[3-(2,4-dimethylphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(2,4-dimethylphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 55530961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).