N-(6-chloro-3-pyridinyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide

C14H10ClN5OS — CID 90509919

IUPACN-(6-chloro-3-pyridinyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)c1csc(Nc2ccccn2)n1
InChIInChI=1S/C14H10ClN5OS/c15-11-5-4-9(7-17-11)18-13(21)10-8-22-14(19-10)20-12-3-1-2-6-16-12/h1-8H,(H,18,21)(H,16,19,20)
InChIKeyVZDYVWMXJIIPLB-UHFFFAOYSA-N
MW331.79 g/mol
LogP3.58
Rot. Bonds4

About N-(6-chloro-3-pyridinyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide

N-(6-chloro-3-pyridinyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 90509919) has the molecular formula C14H10ClN5OS and a molecular weight of 331.79 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID90509919
Molecular FormulaC14H10ClN5OS
Molecular Weight331.79 g/mol
Exact Mass331.03
IUPAC NameN-(6-chloro-3-pyridinyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)c1csc(Nc2ccccn2)n1
InChIInChI=1S/C14H10ClN5OS/c15-11-5-4-9(7-17-11)18-13(21)10-8-22-14(19-10)20-12-3-1-2-6-16-12/h1-8H,(H,18,21)(H,16,19,20)
InChIKeyVZDYVWMXJIIPLB-UHFFFAOYSA-N
XLogP3.58
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.79
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509789
N-(4-methylsulfonylphenyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509926
N-(3-methoxyphenyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509804
N-[3-(difluoromethoxy)phenyl]-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509910
N-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509762
2-(pyridin-2-ylamino)-N-quinolin-8-yl-1,3-thiazole-4-carboxamide
CID 90509900
N-(2-methylpropyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509763
N-cycloheptyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509772
2-bromo-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 164646931
ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71778831
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 166210291
N-(6-nitro-1,3-benzothiazol-2-yl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509854

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide (CID 90509919) is N-(6-chloro-3-pyridinyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(Cl)nc1)c1csc(Nc2ccccn2)n1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is VZDYVWMXJIIPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN5OS/c15-11-5-4-9(7-17-11)18-13(21)10-8-22-14(19-10)20-12-3-1-2-6-16-12/h1-8H,(H,18,21)(H,16,19,20).
What are the key properties of N-(6-chloro-3-pyridinyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide?
N-(6-chloro-3-pyridinyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 331.79 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90509919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).