N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine

C12H13ClN2S — CID 62544339

IUPACN-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(-c2cccc(Cl)c2)cs1
InChIInChI=1S/C12H13ClN2S/c1-2-14-7-12-15-11(8-16-12)9-4-3-5-10(13)6-9/h3-6,8,14H,2,7H2,1H3
InChIKeySGNMWRHLQSLCTC-UHFFFAOYSA-N
MW252.77 g/mol
LogP3.57
Rot. Bonds4

About N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine

N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 62544339) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID62544339
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC NameN-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nc(-c2cccc(Cl)c2)cs1
InChIInChI=1S/C12H13ClN2S/c1-2-14-7-12-15-11(8-16-12)9-4-3-5-10(13)6-9/h3-6,8,14H,2,7H2,1H3
InChIKeySGNMWRHLQSLCTC-UHFFFAOYSA-N
XLogP3.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62542554
N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558381
N-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558401
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
3-[2-(ethylaminomethyl)-1,3-thiazol-4-yl]benzonitrile
CID 63990527
2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethanol
CID 115043402
N-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62544977
3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 62668340
4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole
CID 84567479
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
CID 82103307
N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558378
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115566923

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine (CID 62544339) is N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine is CCNCc1nc(-c2cccc(Cl)c2)cs1.
What is the InChIKey of N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is SGNMWRHLQSLCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-2-14-7-12-15-11(8-16-12)9-4-3-5-10(13)6-9/h3-6,8,14H,2,7H2,1H3.
What are the key properties of N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine?
N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 252.77 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 62544339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).