N-[[2-(2-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine

C15H17ClN2S — CID 82436195

IUPACN-[[2-(2-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccccc2Cl)nc1C1CC1
InChIInChI=1S/C15H17ClN2S/c1-2-17-9-13-14(10-7-8-10)18-15(19-13)11-5-3-4-6-12(11)16/h3-6,10,17H,2,7-9H2,1H3
InChIKeyWIQDMRBAJASAFO-UHFFFAOYSA-N
MW292.83 g/mol
LogP4.45
Rot. Bonds5

About N-[[2-(2-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(2-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 82436195) has the molecular formula C15H17ClN2S and a molecular weight of 292.83 g/mol. Its IUPAC name is N-[[2-(2-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID82436195
Molecular FormulaC15H17ClN2S
Molecular Weight292.83 g/mol
Exact Mass292.08
IUPAC NameN-[[2-(2-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2ccccc2Cl)nc1C1CC1
InChIInChI=1S/C15H17ClN2S/c1-2-17-9-13-14(10-7-8-10)18-15(19-13)11-5-3-4-6-12(11)16/h3-6,10,17H,2,7-9H2,1H3
InChIKeyWIQDMRBAJASAFO-UHFFFAOYSA-N
XLogP4.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 103445265
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62402688
N-[[2-(5-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367264
N-[[2-(2-chloro-6-fluorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367369
N-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82437255
N-[[4-cyclopropyl-2-(5-fluoro-2-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367130
N-[(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436018
N-[[2-(3-bromo-4-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114367364
N-[[2-(3-bromo-5-fluorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367216
N-[[2-(2-chlorophenyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369395
N-[[4-cyclopropyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82436237
4-cyclopropyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 63917766

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 82436195) is N-[[2-(2-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(-c2ccccc2Cl)nc1C1CC1.
What is the InChIKey of N-[[2-(2-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is WIQDMRBAJASAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c1-2-17-9-13-14(10-7-8-10)18-15(19-13)11-5-3-4-6-12(11)16/h3-6,10,17H,2,7-9H2,1H3.
What are the key properties of N-[[2-(2-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(2-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 292.83 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82436195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).