N-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine

C12H12N6S2 — CID 10308455

IUPACN-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine
SMILESCc1nc(CSc2n[nH]c(Nc3cccnc3)n2)cs1
InChIInChI=1S/C12H12N6S2/c1-8-14-10(6-19-8)7-20-12-16-11(17-18-12)15-9-3-2-4-13-5-9/h2-6H,7H2,1H3,(H2,15,16,17,18)
InChIKeyQTVZODFEDWSCGZ-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.00
Rot. Bonds5

About N-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine

N-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine (PubChem CID 10308455) has the molecular formula C12H12N6S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is N-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine
PubChem CID10308455
Molecular FormulaC12H12N6S2
Molecular Weight304.40 g/mol
Exact Mass304.06
IUPAC NameN-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine
SMILESCc1nc(CSc2n[nH]c(Nc3cccnc3)n2)cs1
InChIInChI=1S/C12H12N6S2/c1-8-14-10(6-19-8)7-20-12-16-11(17-18-12)15-9-3-2-4-13-5-9/h2-6H,7H2,1H3,(H2,15,16,17,18)
InChIKeyQTVZODFEDWSCGZ-UHFFFAOYSA-N
XLogP3.00
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine?
The IUPAC name of N-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine (CID 10308455) is N-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine.
What is the SMILES notation for N-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine?
The canonical SMILES for N-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine is Cc1nc(CSc2n[nH]c(Nc3cccnc3)n2)cs1.
What is the InChIKey of N-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine?
The InChIKey is QTVZODFEDWSCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6S2/c1-8-14-10(6-19-8)7-20-12-16-11(17-18-12)15-9-3-2-4-13-5-9/h2-6H,7H2,1H3,(H2,15,16,17,18).
What are the key properties of N-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine?
N-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine has a molecular weight of 304.40 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 10308455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).