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

C17H22N2S — CID 79980515

IUPACN-[1-[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(-c2ccc(C3CC3)cc2)s1
InChIInChI=1S/C17H22N2S/c1-3-10-18-12(2)16-11-19-17(20-16)15-8-6-14(7-9-15)13-4-5-13/h6-9,11-13,18H,3-5,10H2,1-2H3
InChIKeyDQSIMEYZUOJKQU-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.75
Rot. Bonds6

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

N-[1-[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 79980515) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[1-[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID79980515
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC NameN-[1-[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(-c2ccc(C3CC3)cc2)s1
InChIInChI=1S/C17H22N2S/c1-3-10-18-12(2)16-11-19-17(20-16)15-8-6-14(7-9-15)13-4-5-13/h6-9,11-13,18H,3-5,10H2,1-2H3
InChIKeyDQSIMEYZUOJKQU-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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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 79980515) is N-[1-[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1cnc(-c2ccc(C3CC3)cc2)s1.
What is the InChIKey of N-[1-[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is DQSIMEYZUOJKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-3-10-18-12(2)16-11-19-17(20-16)15-8-6-14(7-9-15)13-4-5-13/h6-9,11-13,18H,3-5,10H2,1-2H3.
What are the key properties of N-[1-[2-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[2-(4-cyclopropylphenyl)-1,3-thiazol-5-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-(4-cyclopropylphenyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79980515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).