N-[(4-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine

C15H18N2S — CID 79979986

IUPACN-[(4-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C2CC2)cc1)c1nccs1
InChIInChI=1S/C15H18N2S/c1-2-16-14(15-17-9-10-18-15)13-7-5-12(6-8-13)11-3-4-11/h5-11,14,16H,2-4H2,1H3
InChIKeyZKXLYQJVMBDSIR-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.72
Rot. Bonds5

About N-[(4-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine

N-[(4-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 79979986) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-[(4-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID79979986
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-[(4-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C2CC2)cc1)c1nccs1
InChIInChI=1S/C15H18N2S/c1-2-16-14(15-17-9-10-18-15)13-7-5-12(6-8-13)11-3-4-11/h5-11,14,16H,2-4H2,1H3
InChIKeyZKXLYQJVMBDSIR-UHFFFAOYSA-N
XLogP3.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopropylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
CID 79980474
N-[(4-phenylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61329994
N-[(3-bromo-4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 83230059
N-[(1-methylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61332232
N-[(4-cyclopropylphenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine
CID 79972579
N-[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-2-yl)methyl]ethanamine
CID 61330790
N-[(5-methylthiophen-2-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61346977
N-[(3,4-dichlorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332600
N-[(3-chloro-2-pyridinyl)-(4-cyclobutylphenyl)methyl]ethanamine
CID 103444478
N-[(4-cyclobutylphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923880
N-[(4-cyclobutylphenyl)-(3-fluoro-2-pyridinyl)methyl]ethanamine
CID 116506386
N-[(1-phenylpyrazol-4-yl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61332623

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine (CID 79979986) is N-[(4-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine is CCNC(c1ccc(C2CC2)cc1)c1nccs1.
What is the InChIKey of N-[(4-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is ZKXLYQJVMBDSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-2-16-14(15-17-9-10-18-15)13-7-5-12(6-8-13)11-3-4-11/h5-11,14,16H,2-4H2,1H3.
What are the key properties of N-[(4-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine?
N-[(4-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 258.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 79979986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).