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

C15H18ClN3S — CID 120898978

IUPAC5-[[1-(4-chlorophenyl)ethyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine
SMILESCC(c1ccc(Cl)cc1)N(Cc1cnc(N)s1)C1CC1
InChIInChI=1S/C15H18ClN3S/c1-10(11-2-4-12(16)5-3-11)19(13-6-7-13)9-14-8-18-15(17)20-14/h2-5,8,10,13H,6-7,9H2,1H3,(H2,17,18)
InChIKeyXWXVFPKOMXXOEH-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.10
Rot. Bonds5

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

5-[[1-(4-chlorophenyl)ethyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 120898978) has the molecular formula C15H18ClN3S and a molecular weight of 307.85 g/mol. Its IUPAC name is 5-[[1-(4-chlorophenyl)ethyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[1-(4-chlorophenyl)ethyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine
PubChem CID120898978
Molecular FormulaC15H18ClN3S
Molecular Weight307.85 g/mol
Exact Mass307.09
IUPAC Name5-[[1-(4-chlorophenyl)ethyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine
SMILESCC(c1ccc(Cl)cc1)N(Cc1cnc(N)s1)C1CC1
InChIInChI=1S/C15H18ClN3S/c1-10(11-2-4-12(16)5-3-11)19(13-6-7-13)9-14-8-18-15(17)20-14/h2-5,8,10,13H,6-7,9H2,1H3,(H2,17,18)
InChIKeyXWXVFPKOMXXOEH-UHFFFAOYSA-N
XLogP4.10
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898662
5-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898694
5-[[1-(3,4-dichlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120902697
5-[[cyclopropyl(propyl)amino]methyl]-1,3-thiazol-2-amine
CID 79772205
5-[[cyclopropyl-[(4-ethylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 120898292
methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-cyclopropylamino]-2-methylpropanoate;hydrochloride
CID 120902091
5-[[1-(2,6-difluorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120898349
5-[[[(1S)-1-cyclohexylethyl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903532
5-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine
CID 79771276
1-(4-chlorophenyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 61451039
4-[1-[cyclopropyl(3-methylbutyl)amino]ethyl]aniline
CID 78973906
5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 79772479

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-chlorophenyl)ethyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[1-(4-chlorophenyl)ethyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine (CID 120898978) is 5-[[1-(4-chlorophenyl)ethyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[1-(4-chlorophenyl)ethyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[1-(4-chlorophenyl)ethyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine is CC(c1ccc(Cl)cc1)N(Cc1cnc(N)s1)C1CC1.
What is the InChIKey of 5-[[1-(4-chlorophenyl)ethyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is XWXVFPKOMXXOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3S/c1-10(11-2-4-12(16)5-3-11)19(13-6-7-13)9-14-8-18-15(17)20-14/h2-5,8,10,13H,6-7,9H2,1H3,(H2,17,18).
What are the key properties of 5-[[1-(4-chlorophenyl)ethyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine?
5-[[1-(4-chlorophenyl)ethyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 307.85 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-chlorophenyl)ethyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120898978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).