N-[2-[4-(methanesulfonamido)piperidin-1-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

C21H23N5O3S2 — CID 71142345

IUPACN-[2-[4-(methanesulfonamido)piperidin-1-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCS(=O)(=O)NC1CCN(c2ccccc2NC(=O)c2csc(-c3ccncc3)n2)CC1
InChIInChI=1S/C21H23N5O3S2/c1-31(28,29)25-16-8-12-26(13-9-16)19-5-3-2-4-17(19)23-20(27)18-14-30-21(24-18)15-6-10-22-11-7-15/h2-7,10-11,14,16,25H,8-9,12-13H2,1H3,(H,23,27)
InChIKeyLYWGFPSNTIPVMI-UHFFFAOYSA-N
MW457.58 g/mol
LogP2.98
Rot. Bonds6

About N-[2-[4-(methanesulfonamido)piperidin-1-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

N-[2-[4-(methanesulfonamido)piperidin-1-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 71142345) has the molecular formula C21H23N5O3S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-[2-[4-(methanesulfonamido)piperidin-1-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(methanesulfonamido)piperidin-1-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID71142345
Molecular FormulaC21H23N5O3S2
Molecular Weight457.58 g/mol
Exact Mass457.12
IUPAC NameN-[2-[4-(methanesulfonamido)piperidin-1-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
SMILESCS(=O)(=O)NC1CCN(c2ccccc2NC(=O)c2csc(-c3ccncc3)n2)CC1
InChIInChI=1S/C21H23N5O3S2/c1-31(28,29)25-16-8-12-26(13-9-16)19-5-3-2-4-17(19)23-20(27)18-14-30-21(24-18)15-6-10-22-11-7-15/h2-7,10-11,14,16,25H,8-9,12-13H2,1H3,(H,23,27)
InChIKeyLYWGFPSNTIPVMI-UHFFFAOYSA-N
XLogP2.98
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 126661530
[1-[2-[[2-(2,4-dimethoxypyrimidin-5-yl)-1,3-thiazole-4-carbonyl]amino]phenyl]piperidin-4-yl]carbamic acid
CID 152542264
N-[2-[4-(2-hydroxy-2-methylhydrazinyl)azocan-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 126662024
2-[4-(hydroxymethyl)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71142445
N-[2-(4-acetamidopiperidin-1-yl)-5-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 178082213
N-[2-(3-hydroxypyrrolidin-1-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 78007893
N-[2-[4-(methanesulfonamido)piperidin-1-yl]-3-pyridinyl]-2-(1-oxo-3,4-dihydroisoquinolin-2-yl)-1,3-thiazole-4-carboxamide
CID 59332476
2-(6-chloro-3-pyridinyl)-N-[2-(4-cyanopiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 87332484
N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 56967516
4-(methylamino)-1-[2-[1-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethenylamino]phenyl]piperidine-4-carboxamide
CID 89272006
N-[2-[4-(3-hydroxypropyl)piperidin-1-yl]-5-[(1-propan-2-ylpiperidin-4-yl)amino]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 178082207
2-[3-(dimethylamino)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71142278

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(methanesulfonamido)piperidin-1-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[4-(methanesulfonamido)piperidin-1-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 71142345) is N-[2-[4-(methanesulfonamido)piperidin-1-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-(methanesulfonamido)piperidin-1-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[4-(methanesulfonamido)piperidin-1-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is CS(=O)(=O)NC1CCN(c2ccccc2NC(=O)c2csc(-c3ccncc3)n2)CC1.
What is the InChIKey of N-[2-[4-(methanesulfonamido)piperidin-1-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is LYWGFPSNTIPVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S2/c1-31(28,29)25-16-8-12-26(13-9-16)19-5-3-2-4-17(19)23-20(27)18-14-30-21(24-18)15-6-10-22-11-7-15/h2-7,10-11,14,16,25H,8-9,12-13H2,1H3,(H,23,27).
What are the key properties of N-[2-[4-(methanesulfonamido)piperidin-1-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?
N-[2-[4-(methanesulfonamido)piperidin-1-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 457.58 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(methanesulfonamido)piperidin-1-yl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71142345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).