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

C16H20N2OS — CID 82437255

IUPACN-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2cccc(OC)c2)nc1C1CC1
InChIInChI=1S/C16H20N2OS/c1-3-17-10-14-15(11-7-8-11)18-16(20-14)12-5-4-6-13(9-12)19-2/h4-6,9,11,17H,3,7-8,10H2,1-2H3
InChIKeyHHWZQYWTAMVBKF-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.81
Rot. Bonds6

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

N-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 82437255) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID82437255
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(-c2cccc(OC)c2)nc1C1CC1
InChIInChI=1S/C16H20N2OS/c1-3-17-10-14-15(11-7-8-11)18-16(20-14)12-5-4-6-13(9-12)19-2/h4-6,9,11,17H,3,7-8,10H2,1-2H3
InChIKeyHHWZQYWTAMVBKF-UHFFFAOYSA-N
XLogP3.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82437258
N-[[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82430015
2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82437261
2-[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82437265
[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]methanethiol
CID 82437280
N-[[2-(3-bromo-5-fluorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114367216
1-[4-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82437361
4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98028668
1-[4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazol-5-yl]ethanone
CID 82437284
N-[(4-cyclopropyl-2-phenyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 82436018
N-[[2-(3-chloro-2-pyridinyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 103445265
N-[[2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114367891

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 82437255) is N-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(-c2cccc(OC)c2)nc1C1CC1.
What is the InChIKey of N-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is HHWZQYWTAMVBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-3-17-10-14-15(11-7-8-11)18-16(20-14)12-5-4-6-13(9-12)19-2/h4-6,9,11,17H,3,7-8,10H2,1-2H3.
What are the key properties of N-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 288.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82437255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).