[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-propan-2-yloxyphenyl)methanone

C15H18N2O2S — CID 116585385

IUPAC[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccccc1C(=O)c1csc(CCN)n1
InChIInChI=1S/C15H18N2O2S/c1-10(2)19-13-6-4-3-5-11(13)15(18)12-9-20-14(17-12)7-8-16/h3-6,9-10H,7-8,16H2,1-2H3
InChIKeyHKTWPWMMWGNXPM-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.66
Rot. Bonds6

About [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-propan-2-yloxyphenyl)methanone

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-propan-2-yloxyphenyl)methanone (PubChem CID 116585385) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-propan-2-yloxyphenyl)methanone
PubChem CID116585385
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccccc1C(=O)c1csc(CCN)n1
InChIInChI=1S/C15H18N2O2S/c1-10(2)19-13-6-4-3-5-11(13)15(18)12-9-20-14(17-12)7-8-16/h3-6,9-10H,7-8,16H2,1-2H3
InChIKeyHKTWPWMMWGNXPM-UHFFFAOYSA-N
XLogP2.66
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethoxyphenyl)methanone
CID 116585367
2-(2-aminoethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81390605
(2-methoxyphenyl)-(2-pentyl-1,3-thiazol-4-yl)methanone
CID 66780236
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 116585581
2-(2-aminoethyl)-N-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 120621387
2-(2-aminoethyl)-N-(5-fluoro-2-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120630413
2-(2-aminoethyl)-N-(3-methyl-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635893
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 116585116
2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66372645
2-(2-aminoethyl)-N-[2-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 120621264
2-(2-aminoethyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 120617706
3-methylbutyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate
CID 66373104

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-propan-2-yloxyphenyl)methanone?
The IUPAC name of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-propan-2-yloxyphenyl)methanone (CID 116585385) is [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-propan-2-yloxyphenyl)methanone?
The canonical SMILES for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccccc1C(=O)c1csc(CCN)n1.
What is the InChIKey of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-propan-2-yloxyphenyl)methanone?
The InChIKey is HKTWPWMMWGNXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10(2)19-13-6-4-3-5-11(13)15(18)12-9-20-14(17-12)7-8-16/h3-6,9-10H,7-8,16H2,1-2H3.
What are the key properties of [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-propan-2-yloxyphenyl)methanone?
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-propan-2-yloxyphenyl)methanone has a molecular weight of 290.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 116585385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).