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

C13H15ClN2S — CID 60641063

IUPACN-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C13H15ClN2S/c1-9(2)15-7-10-8-17-13(16-10)11-5-3-4-6-12(11)14/h3-6,8-9,15H,7H2,1-2H3
InChIKeyKUEGGCDWNDQPME-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.96
Rot. Bonds4

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

N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine (PubChem CID 60641063) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
PubChem CID60641063
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC NameN-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C13H15ClN2S/c1-9(2)15-7-10-8-17-13(16-10)11-5-3-4-6-12(11)14/h3-6,8-9,15H,7H2,1-2H3
InChIKeyKUEGGCDWNDQPME-UHFFFAOYSA-N
XLogP3.96
TPSA24.92 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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-chlorophenyl)-N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 9306498
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 39084510
3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 115089531
N-[[2-(2,3,4-trifluorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 107935485
N-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60683168
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]propan-1-ol
CID 115089512
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-phenylpropyl)acetamide
CID 43017112
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 9457086
N-[1-(2-chlorophenyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 43031352
N-[[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 61281494
1-[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(2-methylpropyl)urea
CID 110624857
(1S)-1-(2-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 51929924

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine (CID 60641063) is N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine is CC(C)NCc1csc(-c2ccccc2Cl)n1.
What is the InChIKey of N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The InChIKey is KUEGGCDWNDQPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-9(2)15-7-10-8-17-13(16-10)11-5-3-4-6-12(11)14/h3-6,8-9,15H,7H2,1-2H3.
What are the key properties of N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine has a molecular weight of 266.80 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 60641063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).