3-(4-chlorophenyl)-5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine

C19H16ClN5S — CID 53034271

IUPAC3-(4-chlorophenyl)-5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine
SMILESCCc1ccc(-c2csc(-c3nnn(-c4ccc(Cl)cc4)c3N)n2)cc1
InChIInChI=1S/C19H16ClN5S/c1-2-12-3-5-13(6-4-12)16-11-26-19(22-16)17-18(21)25(24-23-17)15-9-7-14(20)8-10-15/h3-11H,2,21H2,1H3
InChIKeySYPPQQPEEOGMSJ-UHFFFAOYSA-N
MW381.89 g/mol
LogP4.86
Rot. Bonds4

About 3-(4-chlorophenyl)-5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine

3-(4-chlorophenyl)-5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine (PubChem CID 53034271) has the molecular formula C19H16ClN5S and a molecular weight of 381.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine
PubChem CID53034271
Molecular FormulaC19H16ClN5S
Molecular Weight381.89 g/mol
Exact Mass381.08
IUPAC Name3-(4-chlorophenyl)-5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine
SMILESCCc1ccc(-c2csc(-c3nnn(-c4ccc(Cl)cc4)c3N)n2)cc1
InChIInChI=1S/C19H16ClN5S/c1-2-12-3-5-13(6-4-12)16-11-26-19(22-16)17-18(21)25(24-23-17)15-9-7-14(20)8-10-15/h3-11H,2,21H2,1H3
InChIKeySYPPQQPEEOGMSJ-UHFFFAOYSA-N
XLogP4.86
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3-(3-fluoro-4-methylphenyl)triazol-4-amine
CID 53034314
5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine
CID 53034257
5-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine
CID 53034256
5-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine
CID 53034207
5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenyltriazol-4-amine
CID 45499510
5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4-phenylmethoxyphenyl)triazol-4-amine
CID 53082546
3-(3-chloro-4-methylphenyl)-5-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]triazol-4-amine
CID 45499545
5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)triazol-4-amine
CID 53034218
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline
CID 60707173
5-(4-ethylphenyl)-3-(4-methoxyphenyl)triazol-4-amine
CID 82370104
5-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)triazol-4-amine
CID 53082527
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]aniline
CID 12621900

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine?
The IUPAC name of 3-(4-chlorophenyl)-5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine (CID 53034271) is 3-(4-chlorophenyl)-5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine?
The canonical SMILES for 3-(4-chlorophenyl)-5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine is CCc1ccc(-c2csc(-c3nnn(-c4ccc(Cl)cc4)c3N)n2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine?
The InChIKey is SYPPQQPEEOGMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5S/c1-2-12-3-5-13(6-4-12)16-11-26-19(22-16)17-18(21)25(24-23-17)15-9-7-14(20)8-10-15/h3-11H,2,21H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine?
3-(4-chlorophenyl)-5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine has a molecular weight of 381.89 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]triazol-4-amine is sourced from PubChem (CID 53034271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).