2-[(2-chlorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine

C17H23ClN2S — CID 63020323

IUPAC2-[(2-chlorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1cnc(C)s1)Cc1ccccc1Cl
InChIInChI=1S/C17H23ClN2S/c1-3-8-19-11-14(10-16-12-20-13(2)21-16)9-15-6-4-5-7-17(15)18/h4-7,12,14,19H,3,8-11H2,1-2H3
InChIKeyZKDISPUOGMBOIC-UHFFFAOYSA-N
MW322.91 g/mol
LogP4.51
Rot. Bonds8

About 2-[(2-chlorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine

2-[(2-chlorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine (PubChem CID 63020323) has the molecular formula C17H23ClN2S and a molecular weight of 322.91 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
PubChem CID63020323
Molecular FormulaC17H23ClN2S
Molecular Weight322.91 g/mol
Exact Mass322.13
IUPAC Name2-[(2-chlorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
SMILESCCCNCC(Cc1cnc(C)s1)Cc1ccccc1Cl
InChIInChI=1S/C17H23ClN2S/c1-3-8-19-11-14(10-16-12-20-13(2)21-16)9-15-6-4-5-7-17(15)18/h4-7,12,14,19H,3,8-11H2,1-2H3
InChIKeyZKDISPUOGMBOIC-UHFFFAOYSA-N
XLogP4.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.91
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-2-methyl-1,3-thiazole
CID 66043151
N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 63019976
2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 63020146
1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 60777845
2-[(2-chlorophenyl)methyl]-N-propylnonan-1-amine
CID 63520885
2-[(2-chlorophenyl)methyl]-4-methylsulfanyl-N-propylbutan-1-amine
CID 113474189
2-[(2-chlorophenyl)methyl]-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 63775947
2-[(2-chlorophenyl)methyl]-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 62515283
2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 63019615
2-[(2-methylphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol
CID 66060376
2-(4-bromophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 79438116
2-[(3-chloro-2-fluorophenyl)methyl]-N-propylpentan-1-amine
CID 102858667

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine (CID 63020323) is 2-[(2-chlorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine is CCCNCC(Cc1cnc(C)s1)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine?
The InChIKey is ZKDISPUOGMBOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2S/c1-3-8-19-11-14(10-16-12-20-13(2)21-16)9-15-6-4-5-7-17(15)18/h4-7,12,14,19H,3,8-11H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine?
2-[(2-chlorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine has a molecular weight of 322.91 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 63020323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).