3-[2-(3-chloro-5-methylphenyl)-1,3-thiazol-4-yl]-N-propylpropan-1-amine

C16H21ClN2S — CID 143488905

IUPAC3-[2-(3-chloro-5-methylphenyl)-1,3-thiazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1csc(-c2cc(C)cc(Cl)c2)n1
InChIInChI=1S/C16H21ClN2S/c1-3-6-18-7-4-5-15-11-20-16(19-15)13-8-12(2)9-14(17)10-13/h8-11,18H,3-7H2,1-2H3
InChIKeyVKXLJZAOTNOPNG-UHFFFAOYSA-N
MW308.88 g/mol
LogP4.70
Rot. Bonds7

About 3-[2-(3-chloro-5-methylphenyl)-1,3-thiazol-4-yl]-N-propylpropan-1-amine

3-[2-(3-chloro-5-methylphenyl)-1,3-thiazol-4-yl]-N-propylpropan-1-amine (PubChem CID 143488905) has the molecular formula C16H21ClN2S and a molecular weight of 308.88 g/mol. Its IUPAC name is 3-[2-(3-chloro-5-methylphenyl)-1,3-thiazol-4-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(3-chloro-5-methylphenyl)-1,3-thiazol-4-yl]-N-propylpropan-1-amine
PubChem CID143488905
Molecular FormulaC16H21ClN2S
Molecular Weight308.88 g/mol
Exact Mass308.11
IUPAC Name3-[2-(3-chloro-5-methylphenyl)-1,3-thiazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNCCCc1csc(-c2cc(C)cc(Cl)c2)n1
InChIInChI=1S/C16H21ClN2S/c1-3-6-18-7-4-5-15-11-20-16(19-15)13-8-12(2)9-14(17)10-13/h8-11,18H,3-7H2,1-2H3
InChIKeyVKXLJZAOTNOPNG-UHFFFAOYSA-N
XLogP4.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.88
LogP ≤ 54.70
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-[[2-(3,5-dichlorophenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 61280310
2-(4-methylphenyl)-4-propyl-1,3-thiazole
CID 115641441
N-[2-[2-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 114275714
N-[[2-(3-chloro-5-methylphenyl)-1,3-oxazol-4-yl]methyl]propan-1-amine
CID 81324992
4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 141123760
N-[1-[2-(3,5-dimethylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64544305
ethyl 3-[2-(3-chloro-5-fluorophenyl)-1,3-thiazol-4-yl]propanoate
CID 103485093
N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 105379277
3-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-ol
CID 116889146
3-[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 116888293
4-dodecyl-2-(4-dodecyl-1,3-thiazol-2-yl)-1,3-thiazole
CID 141353675
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 20965754

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chloro-5-methylphenyl)-1,3-thiazol-4-yl]-N-propylpropan-1-amine?
The IUPAC name of 3-[2-(3-chloro-5-methylphenyl)-1,3-thiazol-4-yl]-N-propylpropan-1-amine (CID 143488905) is 3-[2-(3-chloro-5-methylphenyl)-1,3-thiazol-4-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 3-[2-(3-chloro-5-methylphenyl)-1,3-thiazol-4-yl]-N-propylpropan-1-amine?
The canonical SMILES for 3-[2-(3-chloro-5-methylphenyl)-1,3-thiazol-4-yl]-N-propylpropan-1-amine is CCCNCCCc1csc(-c2cc(C)cc(Cl)c2)n1.
What is the InChIKey of 3-[2-(3-chloro-5-methylphenyl)-1,3-thiazol-4-yl]-N-propylpropan-1-amine?
The InChIKey is VKXLJZAOTNOPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2S/c1-3-6-18-7-4-5-15-11-20-16(19-15)13-8-12(2)9-14(17)10-13/h8-11,18H,3-7H2,1-2H3.
What are the key properties of 3-[2-(3-chloro-5-methylphenyl)-1,3-thiazol-4-yl]-N-propylpropan-1-amine?
3-[2-(3-chloro-5-methylphenyl)-1,3-thiazol-4-yl]-N-propylpropan-1-amine has a molecular weight of 308.88 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chloro-5-methylphenyl)-1,3-thiazol-4-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 143488905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).