1-[2-[(3-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine

C15H19ClN2S — CID 82431677

IUPAC1-[2-[(3-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine
SMILESCCCc1nc(Cc2cccc(Cl)c2)sc1C(C)N
InChIInChI=1S/C15H19ClN2S/c1-3-5-13-15(10(2)17)19-14(18-13)9-11-6-4-7-12(16)8-11/h4,6-8,10H,3,5,9,17H2,1-2H3
InChIKeyFKTUYHPHUKGTSC-UHFFFAOYSA-N
MW294.85 g/mol
LogP4.36
Rot. Bonds5

About 1-[2-[(3-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine

1-[2-[(3-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 82431677) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 1-[2-[(3-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(3-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine
PubChem CID82431677
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name1-[2-[(3-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine
SMILESCCCc1nc(Cc2cccc(Cl)c2)sc1C(C)N
InChIInChI=1S/C15H19ClN2S/c1-3-5-13-15(10(2)17)19-14(18-13)9-11-6-4-7-12(16)8-11/h4,6-8,10H,3,5,9,17H2,1-2H3
InChIKeyFKTUYHPHUKGTSC-UHFFFAOYSA-N
XLogP4.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.85
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82428640
1-[2-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61287793
N-[[2-[(3-chlorophenyl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82428633
5-bromo-2-[(3-chlorophenyl)methyl]-6-propylpyrimidin-4-amine
CID 66306930
2-chloro-5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazole
CID 63386452
5-[(3-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 62065554
1-(2-pentan-3-yl-4-propyl-1,3-thiazol-5-yl)ethanamine
CID 82432458
[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 61280552
1-(2,4-diethyl-1,3-thiazol-5-yl)ethanamine
CID 82428207
(2S)-2-amino-N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
CID 119336943
2-[(4-chlorophenyl)methyl]-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82431516
1-chloro-3-(7-methyloctyl)benzene
CID 168947295

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-[(3-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine (CID 82431677) is 1-[2-[(3-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-[(3-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-[(3-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine is CCCc1nc(Cc2cccc(Cl)c2)sc1C(C)N.
What is the InChIKey of 1-[2-[(3-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is FKTUYHPHUKGTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-3-5-13-15(10(2)17)19-14(18-13)9-11-6-4-7-12(16)8-11/h4,6-8,10H,3,5,9,17H2,1-2H3.
What are the key properties of 1-[2-[(3-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine?
1-[2-[(3-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 294.85 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chlorophenyl)methyl]-4-propyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82431677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).