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

C15H19ClN2S — CID 79443102

IUPAC2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine
SMILESCC(C)NCC(Cc1cscn1)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2S/c1-11(2)17-8-13(7-15-9-19-10-18-15)12-4-3-5-14(16)6-12/h3-6,9-11,13,17H,7-8H2,1-2H3
InChIKeySYPGMDAIXGINNP-UHFFFAOYSA-N
MW294.85 g/mol
LogP4.12
Rot. Bonds6

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

2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine (PubChem CID 79443102) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine
PubChem CID79443102
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine
SMILESCC(C)NCC(Cc1cscn1)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2S/c1-11(2)17-8-13(7-15-9-19-10-18-15)12-4-3-5-14(16)6-12/h3-6,9-11,13,17H,7-8H2,1-2H3
InChIKeySYPGMDAIXGINNP-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-(3-chlorophenyl)-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 79443167
2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644220
2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine
CID 82870491
N-methyl-2-(3-methylphenyl)-3-(1,3-thiazol-4-yl)propan-1-amine
CID 79416654
2-(3-chlorophenyl)-3-(5-ethylthiophen-2-yl)-N-propan-2-ylpropan-1-amine
CID 79433672
2-methyl-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 62530688
2-[(3-chlorophenyl)methyl]-N-propyl-3-(1,3-thiazol-4-yl)propan-1-amine
CID 62516119
2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 79441055
2-(3-chlorophenyl)-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine
CID 103036915
4-[3-chloro-2-(4-chlorophenyl)propyl]-1,3-thiazole
CID 79434311
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-(1,3-thiazol-4-yl)propanamide
CID 96517723
2-(3-bromophenyl)-3-(4-bromothiophen-2-yl)-N-propan-2-ylpropan-1-amine
CID 79443581

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine (CID 79443102) is 2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine is CC(C)NCC(Cc1cscn1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine?
The InChIKey is SYPGMDAIXGINNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-11(2)17-8-13(7-15-9-19-10-18-15)12-4-3-5-14(16)6-12/h3-6,9-11,13,17H,7-8H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine?
2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-4-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-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-4-yl)propan-1-amine is sourced from PubChem (CID 79443102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).