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

C15H16N2O2S — CID 114520653

IUPAC[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-cyclopropyloxyphenyl)methanone
SMILESCC(N)c1nc(C(=O)c2ccc(OC3CC3)cc2)cs1
InChIInChI=1S/C15H16N2O2S/c1-9(16)15-17-13(8-20-15)14(18)10-2-4-11(5-3-10)19-12-6-7-12/h2-5,8-9,12H,6-7,16H2,1H3
InChIKeyNTJNIJGUHFEAPK-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.93
Rot. Bonds5

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

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-cyclopropyloxyphenyl)methanone (PubChem CID 114520653) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-cyclopropyloxyphenyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-cyclopropyloxyphenyl)methanone
PubChem CID114520653
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-cyclopropyloxyphenyl)methanone
SMILESCC(N)c1nc(C(=O)c2ccc(OC3CC3)cc2)cs1
InChIInChI=1S/C15H16N2O2S/c1-9(16)15-17-13(8-20-15)14(18)10-2-4-11(5-3-10)19-12-6-7-12/h2-5,8-9,12H,6-7,16H2,1H3
InChIKeyNTJNIJGUHFEAPK-UHFFFAOYSA-N
XLogP2.93
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-phenylmethanone
CID 116585747
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-ethoxyphenyl)methanone
CID 116585880
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2,5-dimethoxyphenyl)methanone
CID 116585796
2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
CID 66390398
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107291046
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
2-(1-aminoethyl)-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 66373599
4-cyclopentyloxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557686
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-(4-methoxyphenyl)propan-1-one
CID 116585658
2-amino-1-(4-cyclopentyloxyphenyl)propan-1-one
CID 82290159
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495456
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 3773363

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-cyclopropyloxyphenyl)methanone?
The IUPAC name of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-cyclopropyloxyphenyl)methanone (CID 114520653) is [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-cyclopropyloxyphenyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-cyclopropyloxyphenyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-cyclopropyloxyphenyl)methanone is CC(N)c1nc(C(=O)c2ccc(OC3CC3)cc2)cs1.
What is the InChIKey of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-cyclopropyloxyphenyl)methanone?
The InChIKey is NTJNIJGUHFEAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-9(16)15-17-13(8-20-15)14(18)10-2-4-11(5-3-10)19-12-6-7-12/h2-5,8-9,12H,6-7,16H2,1H3.
What are the key properties of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-cyclopropyloxyphenyl)methanone?
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-cyclopropyloxyphenyl)methanone has a molecular weight of 288.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-cyclopropyloxyphenyl)methanone is sourced from PubChem (CID 114520653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).