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

C13H15ClN2S — CID 62544345

IUPACN-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C13H15ClN2S/c1-2-7-15-8-13-16-12(9-17-13)10-5-3-4-6-11(10)14/h3-6,9,15H,2,7-8H2,1H3
InChIKeyNJKUMVKUAPERMS-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.96
Rot. Bonds5

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

N-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine (PubChem CID 62544345) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is N-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
PubChem CID62544345
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC NameN-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCCCNCc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C13H15ClN2S/c1-2-7-15-8-13-16-12(9-17-13)10-5-3-4-6-11(10)14/h3-6,9,15H,2,7-8H2,1H3
InChIKeyNJKUMVKUAPERMS-UHFFFAOYSA-N
XLogP3.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62543860
N-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62542694
N-[[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62544495
N-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 55129516
N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 55129658
[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methanol
CID 46785514
N-[[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine
CID 65239880
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]octan-1-amine
CID 115566923
N-[[2-(2-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
CID 62745500
N-[[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 61280692
N-[2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82103175
3-[[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]methylamino]propan-1-ol
CID 109379738

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine (CID 62544345) is N-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine is CCCNCc1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of N-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The InChIKey is NJKUMVKUAPERMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-2-7-15-8-13-16-12(9-17-13)10-5-3-4-6-11(10)14/h3-6,9,15H,2,7-8H2,1H3.
What are the key properties of N-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
N-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine has a molecular weight of 266.80 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62544345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).