5-[1-(2-chloro-6-methylphenyl)triazol-4-yl]-1,3-thiazol-2-amine

C12H10ClN5S — CID 141465288

IUPAC5-[1-(2-chloro-6-methylphenyl)triazol-4-yl]-1,3-thiazol-2-amine
SMILESCc1cccc(Cl)c1-n1cc(-c2cnc(N)s2)nn1
InChIInChI=1S/C12H10ClN5S/c1-7-3-2-4-8(13)11(7)18-6-9(16-17-18)10-5-15-12(14)19-10/h2-6H,1H3,(H2,14,15)
InChIKeyYSUGFKHAQGWBFN-UHFFFAOYSA-N
MW291.77 g/mol
LogP2.93
Rot. Bonds2

About 5-[1-(2-chloro-6-methylphenyl)triazol-4-yl]-1,3-thiazol-2-amine

5-[1-(2-chloro-6-methylphenyl)triazol-4-yl]-1,3-thiazol-2-amine (PubChem CID 141465288) has the molecular formula C12H10ClN5S and a molecular weight of 291.77 g/mol. Its IUPAC name is 5-[1-(2-chloro-6-methylphenyl)triazol-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-(2-chloro-6-methylphenyl)triazol-4-yl]-1,3-thiazol-2-amine
PubChem CID141465288
Molecular FormulaC12H10ClN5S
Molecular Weight291.77 g/mol
Exact Mass291.03
IUPAC Name5-[1-(2-chloro-6-methylphenyl)triazol-4-yl]-1,3-thiazol-2-amine
SMILESCc1cccc(Cl)c1-n1cc(-c2cnc(N)s2)nn1
InChIInChI=1S/C12H10ClN5S/c1-7-3-2-4-8(13)11(7)18-6-9(16-17-18)10-5-15-12(14)19-10/h2-6H,1H3,(H2,14,15)
InChIKeyYSUGFKHAQGWBFN-UHFFFAOYSA-N
XLogP2.93
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.77
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-chlorophenyl)triazol-1-yl]-6-methylphenol
CID 175178239
ethene;5-pyridazin-3-yl-1,3-thiazol-2-amine
CID 144794204
5-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-2-amine
CID 114663431
4-methyl-3-(4-phenyltriazol-1-yl)aniline
CID 82369853
5-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 61025121
4-(3-chlorophenyl)-1-(2-methylphenyl)triazole
CID 20977557
2-[1-(2,6-dichlorophenyl)tetrazol-5-yl]-3-methylaniline
CID 65499080
3-chloro-2-(3,4-dimethylpyrazol-1-yl)aniline
CID 154882278
5-(3-chlorothiophen-2-yl)-1,3-thiazol-2-amine
CID 107360465
3-chloro-4-(4-pyridin-2-yltriazol-1-yl)aniline
CID 82369903
4-chloro-1-(2-chloro-6-methylphenyl)benzimidazol-2-amine
CID 104837184
3-chloro-4-(2-chloro-6-methylphenyl)-5-phenyl-1,2,4-triazole
CID 66253948

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-chloro-6-methylphenyl)triazol-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-(2-chloro-6-methylphenyl)triazol-4-yl]-1,3-thiazol-2-amine (CID 141465288) is 5-[1-(2-chloro-6-methylphenyl)triazol-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-(2-chloro-6-methylphenyl)triazol-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-(2-chloro-6-methylphenyl)triazol-4-yl]-1,3-thiazol-2-amine is Cc1cccc(Cl)c1-n1cc(-c2cnc(N)s2)nn1.
What is the InChIKey of 5-[1-(2-chloro-6-methylphenyl)triazol-4-yl]-1,3-thiazol-2-amine?
The InChIKey is YSUGFKHAQGWBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5S/c1-7-3-2-4-8(13)11(7)18-6-9(16-17-18)10-5-15-12(14)19-10/h2-6H,1H3,(H2,14,15).
What are the key properties of 5-[1-(2-chloro-6-methylphenyl)triazol-4-yl]-1,3-thiazol-2-amine?
5-[1-(2-chloro-6-methylphenyl)triazol-4-yl]-1,3-thiazol-2-amine has a molecular weight of 291.77 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-chloro-6-methylphenyl)triazol-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 141465288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).