N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

C19H19N5O3S2 — CID 55811032

IUPACN-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1csc(-c2ncccn2)n1
InChIInChI=1S/C19H19N5O3S2/c25-18(16-13-28-19(23-16)17-20-9-4-10-21-17)22-14-5-7-15(8-6-14)29(26,27)24-11-2-1-3-12-24/h4-10,13H,1-3,11-12H2,(H,22,25)
InChIKeyBAZYPTVAVLWLNI-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.03
Rot. Bonds5

About N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide

N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 55811032) has the molecular formula C19H19N5O3S2 and a molecular weight of 429.53 g/mol. Its IUPAC name is N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
PubChem CID55811032
Molecular FormulaC19H19N5O3S2
Molecular Weight429.53 g/mol
Exact Mass429.09
IUPAC NameN-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1csc(-c2ncccn2)n1
InChIInChI=1S/C19H19N5O3S2/c25-18(16-13-28-19(23-16)17-20-9-4-10-21-17)22-14-5-7-15(8-6-14)29(26,27)24-11-2-1-3-12-24/h4-10,13H,1-3,11-12H2,(H,22,25)
InChIKeyBAZYPTVAVLWLNI-UHFFFAOYSA-N
XLogP3.03
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 27825760
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
2-[(4-methylphenoxy)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 46647466
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
4-(3-chloro-2-pyridinyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 59673279
5-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 6469593
4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55406198
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 26187503
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823541
N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 17440704
N-[4-(azepan-1-ylsulfonyl)phenyl]-3,4,5,6-tetrachloropyridine-2-carboxamide
CID 16551770

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide (CID 55811032) is N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1csc(-c2ncccn2)n1.
What is the InChIKey of N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is BAZYPTVAVLWLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S2/c25-18(16-13-28-19(23-16)17-20-9-4-10-21-17)22-14-5-7-15(8-6-14)29(26,27)24-11-2-1-3-12-24/h4-10,13H,1-3,11-12H2,(H,22,25).
What are the key properties of N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide?
N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 429.53 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55811032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).