N-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide

C12H14N4OS — CID 90509762

IUPACN-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(Nc2ccccn2)n1
InChIInChI=1S/C12H14N4OS/c1-8(2)14-11(17)9-7-18-12(15-9)16-10-5-3-4-6-13-10/h3-8H,1-2H3,(H,14,17)(H,13,15,16)
InChIKeyDYZDSTPUJNBXHX-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.42
Rot. Bonds4

About N-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide

N-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 90509762) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID90509762
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(Nc2ccccn2)n1
InChIInChI=1S/C12H14N4OS/c1-8(2)14-11(17)9-7-18-12(15-9)16-10-5-3-4-6-13-10/h3-8H,1-2H3,(H,14,17)(H,13,15,16)
InChIKeyDYZDSTPUJNBXHX-UHFFFAOYSA-N
XLogP2.42
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509763
N-phenyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509789
N-cycloheptyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509772
ethyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate;hydrochloride
CID 71778831
N-(3-methoxyphenyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509804
N-(4-methylsulfonylphenyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509926
N-(6-chloro-3-pyridinyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509919
2-(pyridin-2-ylamino)-N-quinolin-8-yl-1,3-thiazole-4-carboxamide
CID 90509900
N-[3-(difluoromethoxy)phenyl]-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509910
2-(pyridin-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 90509881
N-[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 166210291
2-(pyridin-2-ylamino)-N'-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazole-4-carbohydrazide
CID 167945271

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide (CID 90509762) is N-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide is CC(C)NC(=O)c1csc(Nc2ccccn2)n1.
What is the InChIKey of N-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is DYZDSTPUJNBXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-8(2)14-11(17)9-7-18-12(15-9)16-10-5-3-4-6-13-10/h3-8H,1-2H3,(H,14,17)(H,13,15,16).
What are the key properties of N-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide?
N-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90509762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).