1-(4-chlorophenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine

C12H13ClN2S — CID 82066766

IUPAC1-(4-chlorophenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1cnc(CC(N)c2ccc(Cl)cc2)s1
InChIInChI=1S/C12H13ClN2S/c1-8-7-15-12(16-8)6-11(14)9-2-4-10(13)5-3-9/h2-5,7,11H,6,14H2,1H3
InChIKeyXGBDSJKVVFTBLP-UHFFFAOYSA-N
MW252.77 g/mol
LogP3.35
Rot. Bonds3

About 1-(4-chlorophenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine

1-(4-chlorophenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 82066766) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID82066766
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name1-(4-chlorophenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1cnc(CC(N)c2ccc(Cl)cc2)s1
InChIInChI=1S/C12H13ClN2S/c1-8-7-15-12(16-8)6-11(14)9-2-4-10(13)5-3-9/h2-5,7,11H,6,14H2,1H3
InChIKeyXGBDSJKVVFTBLP-UHFFFAOYSA-N
XLogP3.35
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine (CID 82066766) is 1-(4-chlorophenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine is Cc1cnc(CC(N)c2ccc(Cl)cc2)s1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is XGBDSJKVVFTBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-8-7-15-12(16-8)6-11(14)9-2-4-10(13)5-3-9/h2-5,7,11H,6,14H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine?
1-(4-chlorophenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 252.77 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 82066766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).