5-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine

C15H14ClN5S — CID 44522113

IUPAC5-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine
SMILESCc1nc(C(C)Nc2nncc(-c3ccc(Cl)cc3)n2)cs1
InChIInChI=1S/C15H14ClN5S/c1-9(14-8-22-10(2)19-14)18-15-20-13(7-17-21-15)11-3-5-12(16)6-4-11/h3-9H,1-2H3,(H,18,20,21)
InChIKeyXTQLESWSWZXOHH-UHFFFAOYSA-N
MW331.83 g/mol
LogP4.13
Rot. Bonds4

About 5-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine

5-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine (PubChem CID 44522113) has the molecular formula C15H14ClN5S and a molecular weight of 331.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine
PubChem CID44522113
Molecular FormulaC15H14ClN5S
Molecular Weight331.83 g/mol
Exact Mass331.07
IUPAC Name5-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine
SMILESCc1nc(C(C)Nc2nncc(-c3ccc(Cl)cc3)n2)cs1
InChIInChI=1S/C15H14ClN5S/c1-9(14-8-22-10(2)19-14)18-15-20-13(7-17-21-15)11-3-5-12(16)6-4-11/h3-9H,1-2H3,(H,18,20,21)
InChIKeyXTQLESWSWZXOHH-UHFFFAOYSA-N
XLogP4.13
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N2-(3-pyridyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 2725904
1-[(E)-(4-chlorophenyl)methylideneamino]-5-methyl-4-(1,3-thiazol-2-yl)imidazol-2-amine
CID 46228717
4-[1-amino-2-(4-chlorophenyl)ethyl]-N-(6-phenylpyridazin-3-yl)-1,3-thiazol-2-amine
CID 49786854
4-[1-amino-2-(4-chlorophenyl)ethyl]-N-(5-ethylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 49789933
4-[1-amino-2-(4-chlorophenyl)ethyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 49795119
4-[1-amino-2-(4-chlorophenyl)ethyl]-N-phthalazin-1-yl-1,3-thiazol-2-amine
CID 155540376
5-(2-fluorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,2,4-triazin-3-amine
CID 26407360
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
CID 42285955
5-(4-cyclohexylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine
CID 42377478
5-(3-fluorophenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,2,4-triazin-3-amine
CID 42381331
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
CID 42403315
5,6-dimethyl-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-1,2,4-triazin-3-amine
CID 138018928

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine (CID 44522113) is 5-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine is Cc1nc(C(C)Nc2nncc(-c3ccc(Cl)cc3)n2)cs1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine?
The InChIKey is XTQLESWSWZXOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5S/c1-9(14-8-22-10(2)19-14)18-15-20-13(7-17-21-15)11-3-5-12(16)6-4-11/h3-9H,1-2H3,(H,18,20,21).
What are the key properties of 5-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine?
5-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine has a molecular weight of 331.83 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 44522113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).