4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazole-2-carboxamide

C13H11N5OS2 — CID 87680694

IUPAC4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(N)=O)sc1-c1csc(Nc2cccnc2)n1
InChIInChI=1S/C13H11N5OS2/c1-7-10(21-12(16-7)11(14)19)9-6-20-13(18-9)17-8-3-2-4-15-5-8/h2-6H,1H3,(H2,14,19)(H,17,18)
InChIKeyRXRBEJNWBIXCJK-UHFFFAOYSA-N
MW317.40 g/mol
LogP2.81
Rot. Bonds4

About 4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazole-2-carboxamide

4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazole-2-carboxamide (PubChem CID 87680694) has the molecular formula C13H11N5OS2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazole-2-carboxamide
PubChem CID87680694
Molecular FormulaC13H11N5OS2
Molecular Weight317.40 g/mol
Exact Mass317.04
IUPAC Name4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(N)=O)sc1-c1csc(Nc2cccnc2)n1
InChIInChI=1S/C13H11N5OS2/c1-7-10(21-12(16-7)11(14)19)9-6-20-13(18-9)17-8-3-2-4-15-5-8/h2-6H,1H3,(H2,14,19)(H,17,18)
InChIKeyRXRBEJNWBIXCJK-UHFFFAOYSA-N
XLogP2.81
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide
CID 71478317
3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 58791547
N-(3,5-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58910456
4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol
CID 2866860
4-methyl-5-[2-[2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 2867543
methyl 4-methyl-2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylate
CID 78916507
2,6-difluoro-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 72720053
N-methyl-N-[4-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 167872617
4-methyl-5-[2-(3-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 2867135
ethyl 4-[2-(pyridin-3-ylamino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 90510175
N-[4-methyl-5-[2-(3-methylsulfonylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 11258329

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazole-2-carboxamide (CID 87680694) is 4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazole-2-carboxamide is Cc1nc(C(N)=O)sc1-c1csc(Nc2cccnc2)n1.
What is the InChIKey of 4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazole-2-carboxamide?
The InChIKey is RXRBEJNWBIXCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS2/c1-7-10(21-12(16-7)11(14)19)9-6-20-13(18-9)17-8-3-2-4-15-5-8/h2-6H,1H3,(H2,14,19)(H,17,18).
What are the key properties of 4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazole-2-carboxamide?
4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 317.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 87680694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).