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

C15H18N2S — CID 79980351

IUPACN-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(-c2ccc(C3CC3)cc2)n1
InChIInChI=1S/C15H18N2S/c1-2-16-9-14-10-18-15(17-14)13-7-5-12(6-8-13)11-3-4-11/h5-8,10-11,16H,2-4,9H2,1H3
InChIKeyHHSQSNICHHJELM-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.80
Rot. Bonds5

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

N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 79980351) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID79980351
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC NameN-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1csc(-c2ccc(C3CC3)cc2)n1
InChIInChI=1S/C15H18N2S/c1-2-16-9-14-10-18-15(17-14)13-7-5-12(6-8-13)11-3-4-11/h5-8,10-11,16H,2-4,9H2,1H3
InChIKeyHHSQSNICHHJELM-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine (CID 79980351) is N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine is CCNCc1csc(-c2ccc(C3CC3)cc2)n1.
What is the InChIKey of N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is HHSQSNICHHJELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-2-16-9-14-10-18-15(17-14)13-7-5-12(6-8-13)11-3-4-11/h5-8,10-11,16H,2-4,9H2,1H3.
What are the key properties of N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine?
N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 258.39 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 79980351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).