[4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine

C16H13ClN2S — CID 63152339

IUPAC[4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine
SMILESNCc1ccc(-c2csc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C16H13ClN2S/c17-14-3-1-2-13(8-14)16-19-15(10-20-16)12-6-4-11(9-18)5-7-12/h1-8,10H,9,18H2
InChIKeyROXNHVQDHYIGCA-UHFFFAOYSA-N
MW300.81 g/mol
LogP4.59
Rot. Bonds3

About [4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine

[4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine (PubChem CID 63152339) has the molecular formula C16H13ClN2S and a molecular weight of 300.81 g/mol. Its IUPAC name is [4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine
PubChem CID63152339
Molecular FormulaC16H13ClN2S
Molecular Weight300.81 g/mol
Exact Mass300.05
IUPAC Name[4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine
SMILESNCc1ccc(-c2csc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C16H13ClN2S/c17-14-3-1-2-13(8-14)16-19-15(10-20-16)12-6-4-11(9-18)5-7-12/h1-8,10H,9,18H2
InChIKeyROXNHVQDHYIGCA-UHFFFAOYSA-N
XLogP4.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 150697593
[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983736
4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]benzoic acid
CID 63529998
[4-[2-(3-bromo-4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 82788931
4-(bromomethyl)-2-(3-chlorophenyl)-1,3-thiazole
CID 119093841
[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 39197619
[4-[4-(3-chloro-4-ethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983705
[3-[4-(3,5-dichloro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983767
[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152435
[4-(2-benzyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63152013
2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole
CID 112690258
3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 62668340

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine?
The IUPAC name of [4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine (CID 63152339) is [4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine.
What is the SMILES notation for [4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine?
The canonical SMILES for [4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine is NCc1ccc(-c2csc(-c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of [4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine?
The InChIKey is ROXNHVQDHYIGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2S/c17-14-3-1-2-13(8-14)16-19-15(10-20-16)12-6-4-11(9-18)5-7-12/h1-8,10H,9,18H2.
What are the key properties of [4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine?
[4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine has a molecular weight of 300.81 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine is sourced from PubChem (CID 63152339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).