2-(3-chlorophenyl)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine

C15H19ClN2S — CID 79442661

IUPAC2-(3-chlorophenyl)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
SMILESCNCC(CCc1scnc1C)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2S/c1-11-15(19-10-18-11)7-6-13(9-17-2)12-4-3-5-14(16)8-12/h3-5,8,10,13,17H,6-7,9H2,1-2H3
InChIKeyZRRIVTUAOGMNKQ-UHFFFAOYSA-N
MW294.85 g/mol
LogP4.04
Rot. Bonds6

About 2-(3-chlorophenyl)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine

2-(3-chlorophenyl)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine (PubChem CID 79442661) has the molecular formula C15H19ClN2S and a molecular weight of 294.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
PubChem CID79442661
Molecular FormulaC15H19ClN2S
Molecular Weight294.85 g/mol
Exact Mass294.10
IUPAC Name2-(3-chlorophenyl)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
SMILESCNCC(CCc1scnc1C)c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2S/c1-11-15(19-10-18-11)7-6-13(9-17-2)12-4-3-5-14(16)8-12/h3-5,8,10,13,17H,6-7,9H2,1-2H3
InChIKeyZRRIVTUAOGMNKQ-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81372103
5-[4-chloro-3-(3-methylphenyl)butyl]-4-methyl-1,3-thiazole
CID 79423423
1-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 55170713
2-(3-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]ethanamine
CID 55019516
2-[(4-chlorophenyl)methyl]-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62515744
2-(3-bromophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 79443219
N-ethyl-2-(4-methylphenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 79436580
4-(3-chlorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 81023908
N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 124613569
N-ethyl-2-(4-fluorophenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 79441697
2-(3-chlorophenyl)-4-ethoxy-N-methylbutan-1-amine
CID 79442885
3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-methylpropan-1-amine
CID 79442587

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine (CID 79442661) is 2-(3-chlorophenyl)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine is CNCC(CCc1scnc1C)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
The InChIKey is ZRRIVTUAOGMNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2S/c1-11-15(19-10-18-11)7-6-13(9-17-2)12-4-3-5-14(16)8-12/h3-5,8,10,13,17H,6-7,9H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine?
2-(3-chlorophenyl)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine has a molecular weight of 294.85 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine is sourced from PubChem (CID 79442661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).