5-[2-(benzylamino)-1,3-thiazol-4-yl]-1-cyclopropyl-2-methylpyrrole-3-carboxamide

C19H20N4OS — CID 134082283

IUPAC5-[2-(benzylamino)-1,3-thiazol-4-yl]-1-cyclopropyl-2-methylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2csc(NCc3ccccc3)n2)n1C1CC1
InChIInChI=1S/C19H20N4OS/c1-12-15(18(20)24)9-17(23(12)14-7-8-14)16-11-25-19(22-16)21-10-13-5-3-2-4-6-13/h2-6,9,11,14H,7-8,10H2,1H3,(H2,20,24)(H,21,22)
InChIKeyKSMNNBVIUBUMJM-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.97
Rot. Bonds6

About 5-[2-(benzylamino)-1,3-thiazol-4-yl]-1-cyclopropyl-2-methylpyrrole-3-carboxamide

5-[2-(benzylamino)-1,3-thiazol-4-yl]-1-cyclopropyl-2-methylpyrrole-3-carboxamide (PubChem CID 134082283) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 5-[2-(benzylamino)-1,3-thiazol-4-yl]-1-cyclopropyl-2-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(benzylamino)-1,3-thiazol-4-yl]-1-cyclopropyl-2-methylpyrrole-3-carboxamide
PubChem CID134082283
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name5-[2-(benzylamino)-1,3-thiazol-4-yl]-1-cyclopropyl-2-methylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cc(-c2csc(NCc3ccccc3)n2)n1C1CC1
InChIInChI=1S/C19H20N4OS/c1-12-15(18(20)24)9-17(23(12)14-7-8-14)16-11-25-19(22-16)21-10-13-5-3-2-4-6-13/h2-6,9,11,14H,7-8,10H2,1H3,(H2,20,24)(H,21,22)
InChIKeyKSMNNBVIUBUMJM-UHFFFAOYSA-N
XLogP3.97
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-2-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 134082343
1-cyclopentyl-2-methyl-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 134082126
5-(2-anilino-1,3-thiazol-4-yl)-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 134082228
1-cyclopentyl-2-methyl-5-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 134082111
N-benzyl-1-cyclohexyl-N,2-dimethyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134082483
2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3847884
5-[2-(ethylamino)-1,3-thiazol-4-yl]-1-[(4-fluorophenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 134082220
1-(cyclopropylmethyl)-2-methyl-5-[2-(naphthalen-1-ylamino)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 134082330
4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine
CID 24505635
1-[(4-fluorophenyl)methyl]-5-[2-(furan-2-ylmethylamino)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide
CID 134082251
1-(cyclohexylmethyl)-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134081994
1-benzyl-2-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 4598977

Frequently Asked Questions

What is the IUPAC name of 5-[2-(benzylamino)-1,3-thiazol-4-yl]-1-cyclopropyl-2-methylpyrrole-3-carboxamide?
The IUPAC name of 5-[2-(benzylamino)-1,3-thiazol-4-yl]-1-cyclopropyl-2-methylpyrrole-3-carboxamide (CID 134082283) is 5-[2-(benzylamino)-1,3-thiazol-4-yl]-1-cyclopropyl-2-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-[2-(benzylamino)-1,3-thiazol-4-yl]-1-cyclopropyl-2-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-[2-(benzylamino)-1,3-thiazol-4-yl]-1-cyclopropyl-2-methylpyrrole-3-carboxamide is Cc1c(C(N)=O)cc(-c2csc(NCc3ccccc3)n2)n1C1CC1.
What is the InChIKey of 5-[2-(benzylamino)-1,3-thiazol-4-yl]-1-cyclopropyl-2-methylpyrrole-3-carboxamide?
The InChIKey is KSMNNBVIUBUMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-12-15(18(20)24)9-17(23(12)14-7-8-14)16-11-25-19(22-16)21-10-13-5-3-2-4-6-13/h2-6,9,11,14H,7-8,10H2,1H3,(H2,20,24)(H,21,22).
What are the key properties of 5-[2-(benzylamino)-1,3-thiazol-4-yl]-1-cyclopropyl-2-methylpyrrole-3-carboxamide?
5-[2-(benzylamino)-1,3-thiazol-4-yl]-1-cyclopropyl-2-methylpyrrole-3-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(benzylamino)-1,3-thiazol-4-yl]-1-cyclopropyl-2-methylpyrrole-3-carboxamide is sourced from PubChem (CID 134082283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).