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

C12H13ClN2S — CID 39356185

IUPAC2-[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
SMILESCc1nc(CCN)sc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2S/c1-8-12(16-11(15-8)6-7-14)9-2-4-10(13)5-3-9/h2-5H,6-7,14H2,1H3
InChIKeyNGYGMQKZNOSTHE-UHFFFAOYSA-N
MW252.77 g/mol
LogP3.27
Rot. Bonds3

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

2-[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]ethanamine (PubChem CID 39356185) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
PubChem CID39356185
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name2-[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
SMILESCc1nc(CCN)sc1-c1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2S/c1-8-12(16-11(15-8)6-7-14)9-2-4-10(13)5-3-9/h2-5H,6-7,14H2,1H3
InChIKeyNGYGMQKZNOSTHE-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]ethanamine (CID 39356185) is 2-[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]ethanamine is Cc1nc(CCN)sc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]ethanamine?
The InChIKey is NGYGMQKZNOSTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-8-12(16-11(15-8)6-7-14)9-2-4-10(13)5-3-9/h2-5H,6-7,14H2,1H3.
What are the key properties of 2-[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]ethanamine?
2-[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]ethanamine has a molecular weight of 252.77 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 39356185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).