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

C6H9ClN2S — CID 16762381

IUPAC2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1nc(CCN)sc1Cl
InChIInChI=1S/C6H9ClN2S/c1-4-6(7)10-5(9-4)2-3-8/h2-3,8H2,1H3
InChIKeyWHCCFMJFEKJTIZ-UHFFFAOYSA-N
MW176.67 g/mol
LogP1.61
Rot. Bonds2

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

2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 16762381) has the molecular formula C6H9ClN2S and a molecular weight of 176.67 g/mol. Its IUPAC name is 2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID16762381
Molecular FormulaC6H9ClN2S
Molecular Weight176.67 g/mol
Exact Mass176.02
IUPAC Name2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1nc(CCN)sc1Cl
InChIInChI=1S/C6H9ClN2S/c1-4-6(7)10-5(9-4)2-3-8/h2-3,8H2,1H3
InChIKeyWHCCFMJFEKJTIZ-UHFFFAOYSA-N
XLogP1.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.67
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(4-chlorophenyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 39356185
2-[5-(methoxymethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 62923064
5-chloro-2,4-dimethyl-1,3-thiazole
CID 20719823
2-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine
CID 79002022
2-[5-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 82054706
2-(4-chloro-6-methyl-1,3-benzothiazol-2-yl)ethanamine
CID 39106792
N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-5-ethyl-1,3,4-oxadiazol-2-amine
CID 72860818
2-[5-[5-[2-(4-chlorophenyl)ethyl]-1H-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 82568816
2-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 39244014
2-[2-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 79154268
2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 28812164
2-(4,5-diethyl-1,3-thiazol-2-yl)ethanamine
CID 105441378

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethanamine (CID 16762381) is 2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethanamine is Cc1nc(CCN)sc1Cl.
What is the InChIKey of 2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is WHCCFMJFEKJTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2S/c1-4-6(7)10-5(9-4)2-3-8/h2-3,8H2,1H3.
What are the key properties of 2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethanamine?
2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 176.67 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 16762381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).