N-phenyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine

C12H11N5S2 — CID 2366268

IUPACN-phenyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine
SMILESc1ccc(Nc2nc(CSc3ncn[nH]3)cs2)cc1
InChIInChI=1S/C12H11N5S2/c1-2-4-9(5-3-1)15-12-16-10(7-19-12)6-18-11-13-8-14-17-11/h1-5,7-8H,6H2,(H,15,16)(H,13,14,17)
InChIKeyWLZCMHNSPJKOQN-UHFFFAOYSA-N
MW289.39 g/mol
LogP3.30
Rot. Bonds5

About N-phenyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine

N-phenyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine (PubChem CID 2366268) has the molecular formula C12H11N5S2 and a molecular weight of 289.39 g/mol. Its IUPAC name is N-phenyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-phenyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine
PubChem CID2366268
Molecular FormulaC12H11N5S2
Molecular Weight289.39 g/mol
Exact Mass289.05
IUPAC NameN-phenyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine
SMILESc1ccc(Nc2nc(CSc3ncn[nH]3)cs2)cc1
InChIInChI=1S/C12H11N5S2/c1-2-4-9(5-3-1)15-12-16-10(7-19-12)6-18-11-13-8-14-17-11/h1-5,7-8H,6H2,(H,15,16)(H,13,14,17)
InChIKeyWLZCMHNSPJKOQN-UHFFFAOYSA-N
XLogP3.30
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-amine
CID 9840776
5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-N-(4-methylphenyl)-4H-1,2,4-triazol-3-amine
CID 9905053
5-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-N-(2-methylphenyl)-4H-1,2,4-triazol-3-amine
CID 16757244
4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2115901
4-{[(1-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl}-1,3-thiazol-2-amine
CID 890044
N-(4-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 2997993
N-(4-Methyl-thiazol-2-yl)-2-(1-phenyl-1H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 972808
4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine
CID 2345699
4-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine
CID 3598868
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 71968064
N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 72137424
N-{4-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]phenyl}-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 86645986

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-phenyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine (CID 2366268) is N-phenyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-phenyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-phenyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine is c1ccc(Nc2nc(CSc3ncn[nH]3)cs2)cc1.
What is the InChIKey of N-phenyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine?
The InChIKey is WLZCMHNSPJKOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S2/c1-2-4-9(5-3-1)15-12-16-10(7-19-12)6-18-11-13-8-14-17-11/h1-5,7-8H,6H2,(H,15,16)(H,13,14,17).
What are the key properties of N-phenyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine?
N-phenyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine has a molecular weight of 289.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2366268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).