N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide

C15H19N5O4S2 — CID 55556991

IUPACN-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)C1
InChIInChI=1S/C15H19N5O4S2/c1-26(23,24)20-4-2-3-9(7-20)14(22)19-15-18-12(8-25-15)10-5-11(13(16)21)17-6-10/h5-6,8-9,17H,2-4,7H2,1H3,(H2,16,21)(H,18,19,22)
InChIKeyVDANAJBVZMXRSM-UHFFFAOYSA-N
MW397.48 g/mol
LogP0.85
Rot. Bonds5

About N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide

N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 55556991) has the molecular formula C15H19N5O4S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID55556991
Molecular FormulaC15H19N5O4S2
Molecular Weight397.48 g/mol
Exact Mass397.09
IUPAC NameN-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)C1
InChIInChI=1S/C15H19N5O4S2/c1-26(23,24)20-4-2-3-9(7-20)14(22)19-15-18-12(8-25-15)10-5-11(13(16)21)17-6-10/h5-6,8-9,17H,2-4,7H2,1H3,(H2,16,21)(H,18,19,22)
InChIKeyVDANAJBVZMXRSM-UHFFFAOYSA-N
XLogP0.85
TPSA138.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-methylsulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 43043803
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 46411411
4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 120984867
4-[2-[(4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 55596810
4-[2-[(2-methylsulfanylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 47152417
(2S)-N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 167814774
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826107
1-(4-methylphenyl)sulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 16829147
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16862805
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1-propylsulfonylpiperidine-3-carboxamide
CID 55755676
4-[2-[(1-aminocyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride
CID 119277924
4-[2-[(3,5-dichlorobenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 46539593

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide (CID 55556991) is N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)C1.
What is the InChIKey of N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is VDANAJBVZMXRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4S2/c1-26(23,24)20-4-2-3-9(7-20)14(22)19-15-18-12(8-25-15)10-5-11(13(16)21)17-6-10/h5-6,8-9,17H,2-4,7H2,1H3,(H2,16,21)(H,18,19,22).
What are the key properties of N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide?
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55556991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).