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

C12H12N2OS — CID 116585747

IUPAC[2-(1-aminoethyl)-1,3-thiazol-4-yl]-phenylmethanone
SMILESCC(N)c1nc(C(=O)c2ccccc2)cs1
InChIInChI=1S/C12H12N2OS/c1-8(13)12-14-10(7-16-12)11(15)9-5-3-2-4-6-9/h2-8H,13H2,1H3
InChIKeyDECGJWPETAWSNA-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.39
Rot. Bonds3

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

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-phenylmethanone (PubChem CID 116585747) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is [2-(1-aminoethyl)-1,3-thiazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)-1,3-thiazol-4-yl]-phenylmethanone
PubChem CID116585747
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name[2-(1-aminoethyl)-1,3-thiazol-4-yl]-phenylmethanone
SMILESCC(N)c1nc(C(=O)c2ccccc2)cs1
InChIInChI=1S/C12H12N2OS/c1-8(13)12-14-10(7-16-12)11(15)9-5-3-2-4-6-9/h2-8H,13H2,1H3
InChIKeyDECGJWPETAWSNA-UHFFFAOYSA-N
XLogP2.39
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-ethoxyphenyl)methanone
CID 116585880
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-cyclopropyloxyphenyl)methanone
CID 114520653
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-phenylpropan-1-one
CID 116585753
2-(1-aminoethyl)-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 66388213
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107291046
2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 66389507
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-quinolin-8-ylmethanone
CID 116585816
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-amino-3-pyridinyl)methanone
CID 116585656
3-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]benzoic acid
CID 66388542
2-(1-aminoethyl)-N-benzyl-N-propyl-1,3-thiazole-4-carboxamide
CID 66388279
2-(1-aminoethyl)-N-butyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 66388418

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-phenylmethanone?
The IUPAC name of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-phenylmethanone (CID 116585747) is [2-(1-aminoethyl)-1,3-thiazol-4-yl]-phenylmethanone.
What is the SMILES notation for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-phenylmethanone?
The canonical SMILES for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-phenylmethanone is CC(N)c1nc(C(=O)c2ccccc2)cs1.
What is the InChIKey of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-phenylmethanone?
The InChIKey is DECGJWPETAWSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8(13)12-14-10(7-16-12)11(15)9-5-3-2-4-6-9/h2-8H,13H2,1H3.
What are the key properties of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-phenylmethanone?
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-phenylmethanone has a molecular weight of 232.31 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-phenylmethanone is sourced from PubChem (CID 116585747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).