4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine

C12H11N5S2 — CID 890044

IUPAC4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CSc2ncn(-c3ccccc3)n2)cs1
InChIInChI=1S/C12H11N5S2/c13-11-15-9(6-18-11)7-19-12-14-8-17(16-12)10-4-2-1-3-5-10/h1-6,8H,7H2,(H2,13,15)
InChIKeyZGAIDNXUKOFYBJ-UHFFFAOYSA-N
MW289.39 g/mol
LogP2.60
Rot. Bonds4

About 4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine

4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine (PubChem CID 890044) has the molecular formula C12H11N5S2 and a molecular weight of 289.39 g/mol. Its IUPAC name is 4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine
PubChem CID890044
Molecular FormulaC12H11N5S2
Molecular Weight289.39 g/mol
Exact Mass289.05
IUPAC Name4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine
SMILESNc1nc(CSc2ncn(-c3ccccc3)n2)cs1
InChIInChI=1S/C12H11N5S2/c13-11-15-9(6-18-11)7-19-12-14-8-17(16-12)10-4-2-1-3-5-10/h1-6,8H,7H2,(H2,13,15)
InChIKeyZGAIDNXUKOFYBJ-UHFFFAOYSA-N
XLogP2.60
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-Phenyl-4-[(4h-1,2,4-Triazol-3-Ylsulfanyl)methyl]-1,3-Thiazol-2-Amine
CID 2366268
2-[(1-phenyl-1H-1,2,4-triazol-3-yl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2940142
N-(4-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 2997993
N-(5-methyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9549087
N-(4-Methyl-thiazol-2-yl)-2-(1-phenyl-1H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 972808
2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 977368
4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine
CID 2345699
4-(1,3-thiazol-2-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 163214641
Thiazolo(3,2-b)(1,2,4)triazole, 6-((4-phenyl-1-piperazinyl)methyl)-, monohydrochloride
CID 3074993
2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 828374
4-phenyl-N-[(E)-[4-(1,2,4-triazol-1-yl)phenyl]methyleneamino]thiazol-2-amine
CID 86580304
4-tert-butyl-N-(2-fluorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-amine
CID 71495370

Frequently Asked Questions

What is the IUPAC name of 4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine (CID 890044) is 4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine is Nc1nc(CSc2ncn(-c3ccccc3)n2)cs1.
What is the InChIKey of 4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
The InChIKey is ZGAIDNXUKOFYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S2/c13-11-15-9(6-18-11)7-19-12-14-8-17(16-12)10-4-2-1-3-5-10/h1-6,8H,7H2,(H2,13,15).
What are the key properties of 4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine?
4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine has a molecular weight of 289.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 890044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).