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

C13H15ClN2S — CID 82069519

IUPAC2-[4-(4-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]ethanamine
SMILESCCc1nc(-c2ccc(Cl)cc2)c(CCN)s1
InChIInChI=1S/C13H15ClN2S/c1-2-12-16-13(11(17-12)7-8-15)9-3-5-10(14)6-4-9/h3-6H,2,7-8,15H2,1H3
InChIKeyKKHSSIKFAIWSRU-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.53
Rot. Bonds4

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

2-[4-(4-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 82069519) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]ethanamine
PubChem CID82069519
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name2-[4-(4-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]ethanamine
SMILESCCc1nc(-c2ccc(Cl)cc2)c(CCN)s1
InChIInChI=1S/C13H15ClN2S/c1-2-12-16-13(11(17-12)7-8-15)9-3-5-10(14)6-4-9/h3-6H,2,7-8,15H2,1H3
InChIKeyKKHSSIKFAIWSRU-UHFFFAOYSA-N
XLogP3.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine
CID 79002022
5-(2-chloroethyl)-4-(4-chlorophenyl)-2-methyl-1,3-thiazole
CID 28710033
2-(2-aminoethyl)-4-(4-chlorophenyl)-1,3-thiazole-5-carbonitrile
CID 82486195
2-(4-bromo-2-ethyl-1,3-thiazol-5-yl)ethanamine
CID 83824283
[2-[(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81177501
2-[4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82069461
[4-(4-tert-butylphenyl)-5-ethyl-1,3-thiazol-2-yl]methanamine
CID 39373614
2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 79782596
2-(2-propyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanamine
CID 82069570
2-[2-ethyl-4-(4-ethylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82069356
2-[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 39356185
2-[4-(4-chlorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]ethanol
CID 14100762

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[4-(4-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]ethanamine (CID 82069519) is 2-[4-(4-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-(4-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]ethanamine is CCc1nc(-c2ccc(Cl)cc2)c(CCN)s1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is KKHSSIKFAIWSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-2-12-16-13(11(17-12)7-8-15)9-3-5-10(14)6-4-9/h3-6H,2,7-8,15H2,1H3.
What are the key properties of 2-[4-(4-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]ethanamine?
2-[4-(4-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 266.80 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-2-ethyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82069519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).