N-[2-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]propan-1-amine

C15H19ClN2S — CID 82102720

IUPACN-[2-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1nc(-c2ccc(Cl)cc2)c(C)s1
InChIInChI=1S/C15H19ClN2S/c1-3-9-17-10-8-14-18-15(11(2)19-14)12-4-6-13(16)7-5-12/h4-7,17H,3,8-10H2,1-2H3
InChIKeyIWCUMUKCJVQGHY-UHFFFAOYSA-N
MW294.85 g/mol
LogP4.31
Rot. Bonds6

About N-[2-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]propan-1-amine

N-[2-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]propan-1-amine (PubChem CID 82102720) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]propan-1-amine
PubChem CID82102720
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC NameN-[2-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1nc(-c2ccc(Cl)cc2)c(C)s1
InChIInChI=1S/C15H19ClN2S/c1-3-9-17-10-8-14-18-15(11(2)19-14)12-4-6-13(16)7-5-12/h4-7,17H,3,8-10H2,1-2H3
InChIKeyIWCUMUKCJVQGHY-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
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-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]ethyl]propan-2-amine
CID 82102760
3-methoxy-N-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 82102677
5-methyl-2-[2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethyl]-4-phenyl-1,3-thiazole
CID 2129747
4-(4-chlorophenyl)-5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole
CID 52580545
N-(furan-2-ylmethyl)-2-(5-methyl-4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 82102767
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
CID 82103307
N-[2-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]ethyl]cyclopentanamine
CID 82102862
4-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-N-ethylaniline
CID 167848526
N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]quinoxalin-2-amine
CID 75416961
1-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methyl-3-prop-2-ynylguanidine
CID 119148936
2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 39353020
N-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543522

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]propan-1-amine (CID 82102720) is N-[2-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]propan-1-amine is CCCNCCc1nc(-c2ccc(Cl)cc2)c(C)s1.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is IWCUMUKCJVQGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-3-9-17-10-8-14-18-15(11(2)19-14)12-4-6-13(16)7-5-12/h4-7,17H,3,8-10H2,1-2H3.
What are the key properties of N-[2-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]propan-1-amine?
N-[2-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 294.85 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 82102720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).