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

C14H15N5S2 — CID 16757244

IUPACN-(2-methylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine
SMILESCc1nc(CSc2n[nH]c(Nc3ccccc3C)n2)cs1
InChIInChI=1S/C14H15N5S2/c1-9-5-3-4-6-12(9)16-13-17-14(19-18-13)21-8-11-7-20-10(2)15-11/h3-7H,8H2,1-2H3,(H2,16,17,18,19)
InChIKeySFZZYMYEZZFERE-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.91
Rot. Bonds5

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

N-(2-methylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine (PubChem CID 16757244) has the molecular formula C14H15N5S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine
PubChem CID16757244
Molecular FormulaC14H15N5S2
Molecular Weight317.44 g/mol
Exact Mass317.08
IUPAC NameN-(2-methylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine
SMILESCc1nc(CSc2n[nH]c(Nc3ccccc3C)n2)cs1
InChIInChI=1S/C14H15N5S2/c1-9-5-3-4-6-12(9)16-13-17-14(19-18-13)21-8-11-7-20-10(2)15-11/h3-7H,8H2,1-2H3,(H2,16,17,18,19)
InChIKeySFZZYMYEZZFERE-UHFFFAOYSA-N
XLogP3.91
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-methylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine with MolForge

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Related Compounds

N-(2-Isopropylphenyl)-3-[(2-Thienylmethyl)thio]-1h-1,2,4-Triazol-5-Amine
CID 16129576
N-Phenyl-4-[(4h-1,2,4-Triazol-3-Ylsulfanyl)methyl]-1,3-Thiazol-2-Amine
CID 2366268
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
N-(4-methylphenyl)-5-[(thiophen-2-ylmethyl)sulfanyl]-4H-1,2,4-triazol-3-amine
CID 16757344
4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 2115901
N-(4-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 2125861
N-(2-methylphenyl)-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 2471690
N-(2,3-Dimethylphenyl)-5-(((2-methylthiazol-4-yl)methyl)thio)-1,3,4-thiadiazol-2-amine
CID 2583797
N-(4-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 2997993
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-ethylphenyl)-1,3-thiazol-2-amine
CID 746650
4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-(2-ethylphenyl)-1,3-thiazol-2-amine
CID 126619380

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-(2-methylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine (CID 16757244) is N-(2-methylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-(2-methylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-(2-methylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine is Cc1nc(CSc2n[nH]c(Nc3ccccc3C)n2)cs1.
What is the InChIKey of N-(2-methylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine?
The InChIKey is SFZZYMYEZZFERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S2/c1-9-5-3-4-6-12(9)16-13-17-14(19-18-13)21-8-11-7-20-10(2)15-11/h3-7H,8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of N-(2-methylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine?
N-(2-methylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine has a molecular weight of 317.44 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 16757244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).