N-[4-[2-(cyclopropylsulfonylamino)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide

C18H16N4O3S2 — CID 170421258

IUPACN-[4-[2-(cyclopropylsulfonylamino)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2NS(=O)(=O)C2CC2)cs1)c1ccccn1
InChIInChI=1S/C18H16N4O3S2/c23-17(15-7-3-4-10-19-15)21-18-20-16(11-26-18)13-5-1-2-6-14(13)22-27(24,25)12-8-9-12/h1-7,10-12,22H,8-9H2,(H,20,21,23)
InChIKeyKPMGHEASVGEWHR-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.36
Rot. Bonds6

About N-[4-[2-(cyclopropylsulfonylamino)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide

N-[4-[2-(cyclopropylsulfonylamino)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 170421258) has the molecular formula C18H16N4O3S2 and a molecular weight of 400.49 g/mol. Its IUPAC name is N-[4-[2-(cyclopropylsulfonylamino)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropylsulfonylamino)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID170421258
Molecular FormulaC18H16N4O3S2
Molecular Weight400.49 g/mol
Exact Mass400.07
IUPAC NameN-[4-[2-(cyclopropylsulfonylamino)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2NS(=O)(=O)C2CC2)cs1)c1ccccn1
InChIInChI=1S/C18H16N4O3S2/c23-17(15-7-3-4-10-19-15)21-18-20-16(11-26-18)13-5-1-2-6-14(13)22-27(24,25)12-8-9-12/h1-7,10-12,22H,8-9H2,(H,20,21,23)
InChIKeyKPMGHEASVGEWHR-UHFFFAOYSA-N
XLogP3.36
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 39016403
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 71537816
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 90626104
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 25259755
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 16619036
N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 17404608
ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 153338927
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 4968210
2-(pyridine-2-carbonylamino)-1,3-thiazole-4-carboxamide
CID 110471210
2,5-dichloro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 5003941
5-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 2462544
N-[2-[2-[(2-aminoacetyl)amino]-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
CID 39177703

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropylsulfonylamino)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[2-(cyclopropylsulfonylamino)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 170421258) is N-[4-[2-(cyclopropylsulfonylamino)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[2-(cyclopropylsulfonylamino)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[2-(cyclopropylsulfonylamino)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide is O=C(Nc1nc(-c2ccccc2NS(=O)(=O)C2CC2)cs1)c1ccccn1.
What is the InChIKey of N-[4-[2-(cyclopropylsulfonylamino)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is KPMGHEASVGEWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S2/c23-17(15-7-3-4-10-19-15)21-18-20-16(11-26-18)13-5-1-2-6-14(13)22-27(24,25)12-8-9-12/h1-7,10-12,22H,8-9H2,(H,20,21,23).
What are the key properties of N-[4-[2-(cyclopropylsulfonylamino)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
N-[4-[2-(cyclopropylsulfonylamino)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropylsulfonylamino)phenyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 170421258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).