2-(2-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine

C15H19ClN2S — CID 112644240

IUPAC2-(2-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
SMILESCC(C)NCC(Cc1cncs1)c1ccccc1Cl
InChIInChI=1S/C15H19ClN2S/c1-11(2)18-8-12(7-13-9-17-10-19-13)14-5-3-4-6-15(14)16/h3-6,9-12,18H,7-8H2,1-2H3
InChIKeyLODNUMXPFVMINC-UHFFFAOYSA-N
MW294.85 g/mol
LogP4.12
Rot. Bonds6

About 2-(2-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine

2-(2-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine (PubChem CID 112644240) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
PubChem CID112644240
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name2-(2-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
SMILESCC(C)NCC(Cc1cncs1)c1ccccc1Cl
InChIInChI=1S/C15H19ClN2S/c1-11(2)18-8-12(7-13-9-17-10-19-13)14-5-3-4-6-15(14)16/h3-6,9-12,18H,7-8H2,1-2H3
InChIKeyLODNUMXPFVMINC-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644237
2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644220
2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 79436850
2-methyl-N-[2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propyl]propan-2-amine
CID 115979445
2-(2-chlorophenyl)-3-(1-methyltriazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 107053486
2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine
CID 103984866
1-(2-chlorophenyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642906
2-(2-methylphenyl)-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644178
2-[(4-fluorophenyl)methyl]-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 115979345
(1S)-1-(2-chlorophenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 103914683
(1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81373323
(1S)-1-(2-chlorophenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 76957004

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine (CID 112644240) is 2-(2-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine is CC(C)NCC(Cc1cncs1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is LODNUMXPFVMINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-11(2)18-8-12(7-13-9-17-10-19-13)14-5-3-4-6-15(14)16/h3-6,9-12,18H,7-8H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine?
2-(2-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 294.85 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 112644240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).