[4-(5-chloro-2-methylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine

C14H17ClN2S — CID 82106774

IUPAC[4-(5-chloro-2-methylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
SMILESCc1ccc(Cl)cc1-c1nc(CN)sc1C(C)C
InChIInChI=1S/C14H17ClN2S/c1-8(2)14-13(17-12(7-16)18-14)11-6-10(15)5-4-9(11)3/h4-6,8H,7,16H2,1-3H3
InChIKeyHNBZKDIZBSYSQQ-UHFFFAOYSA-N
MW280.82 g/mol
LogP4.35
Rot. Bonds3

About [4-(5-chloro-2-methylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine

[4-(5-chloro-2-methylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine (PubChem CID 82106774) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is [4-(5-chloro-2-methylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[4-(5-chloro-2-methylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
PubChem CID82106774
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC Name[4-(5-chloro-2-methylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
SMILESCc1ccc(Cl)cc1-c1nc(CN)sc1C(C)C
InChIInChI=1S/C14H17ClN2S/c1-8(2)14-13(17-12(7-16)18-14)11-6-10(15)5-4-9(11)3/h4-6,8H,7,16H2,1-3H3
InChIKeyHNBZKDIZBSYSQQ-UHFFFAOYSA-N
XLogP4.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-aminoethyl)-4-(5-chloro-2-methylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 82541728
4-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine
CID 28864558
[4-(4-ethylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
CID 39360934
2-[4-(3-chloro-4-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]ethanamine
CID 82106779
[4-(3-fluorophenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine
CID 82106665
2-(aminomethyl)-4-(2,5-dimethylphenyl)-1,3-thiazole-5-carbonitrile
CID 82478203
2-(aminomethyl)-4-(5-chloro-2-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 82487442
[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanamine
CID 39349446
2-[5-methyl-4-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82483196
2-(5-propan-2-yl-4-pyridin-4-yl-1,3-thiazol-2-yl)ethanamine
CID 82106871
2-(5-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-yl)ethanamine
CID 39356102
1-[5-(5-chloro-2-methylphenyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 82890680

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-methylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [4-(5-chloro-2-methylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine (CID 82106774) is [4-(5-chloro-2-methylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [4-(5-chloro-2-methylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [4-(5-chloro-2-methylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine is Cc1ccc(Cl)cc1-c1nc(CN)sc1C(C)C.
What is the InChIKey of [4-(5-chloro-2-methylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine?
The InChIKey is HNBZKDIZBSYSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S/c1-8(2)14-13(17-12(7-16)18-14)11-6-10(15)5-4-9(11)3/h4-6,8H,7,16H2,1-3H3.
What are the key properties of [4-(5-chloro-2-methylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine?
[4-(5-chloro-2-methylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine has a molecular weight of 280.82 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-methylphenyl)-5-propan-2-yl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 82106774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).