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

C17H22N2S — CID 79980981

IUPACN-[1-[2-(3-cyclopropylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(-c2cccc(C3CC3)c2)n1
InChIInChI=1S/C17H22N2S/c1-3-9-18-12(2)16-11-20-17(19-16)15-6-4-5-14(10-15)13-7-8-13/h4-6,10-13,18H,3,7-9H2,1-2H3
InChIKeyRHAOCTYTQDTKOJ-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.75
Rot. Bonds6

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

N-[1-[2-(3-cyclopropylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (PubChem CID 79980981) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[1-[2-(3-cyclopropylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(3-cyclopropylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
PubChem CID79980981
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-[1-[2-(3-cyclopropylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1csc(-c2cccc(C3CC3)c2)n1
InChIInChI=1S/C17H22N2S/c1-3-9-18-12(2)16-11-20-17(19-16)15-6-4-5-14(10-15)13-7-8-13/h4-6,10-13,18H,3,7-9H2,1-2H3
InChIKeyRHAOCTYTQDTKOJ-UHFFFAOYSA-N
XLogP4.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(3,5-dimethylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64544305
N-[1-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64545116
2-chloro-1-[2-(3-cyclopropylphenyl)-1,3-thiazol-4-yl]ethanone
CID 113392172
1-[2-(3-cyclopropylphenyl)-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
CID 79980269
N-[1-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 64544498
N-ethyl-1-[2-(3-nitrophenyl)-1,3-thiazol-4-yl]ethanamine
CID 64543684
N-[1-[2-(2-fluoro-5-methylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 107931873
N-ethyl-1-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanamine
CID 64542865
1-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64542685
N-[1-[2-(2-chloro-6-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 104817796
2-(3-cyclopropylphenyl)-N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 58319307
N,N-bis(cyclopropylmethyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64542769

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-cyclopropylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(3-cyclopropylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine (CID 79980981) is N-[1-[2-(3-cyclopropylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(3-cyclopropylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(3-cyclopropylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1csc(-c2cccc(C3CC3)c2)n1.
What is the InChIKey of N-[1-[2-(3-cyclopropylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
The InChIKey is RHAOCTYTQDTKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-3-9-18-12(2)16-11-20-17(19-16)15-6-4-5-14(10-15)13-7-8-13/h4-6,10-13,18H,3,7-9H2,1-2H3.
What are the key properties of N-[1-[2-(3-cyclopropylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine?
N-[1-[2-(3-cyclopropylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine has a molecular weight of 286.44 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-cyclopropylphenyl)-1,3-thiazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79980981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).