1-(benzylamino)-3-(1,3-thiazol-2-yl)propan-2-one

C13H14N2OS — CID 58516398

IUPAC1-(benzylamino)-3-(1,3-thiazol-2-yl)propan-2-one
SMILESO=C(CNCc1ccccc1)Cc1nccs1
InChIInChI=1S/C13H14N2OS/c16-12(8-13-15-6-7-17-13)10-14-9-11-4-2-1-3-5-11/h1-7,14H,8-10H2
InChIKeyCQHHLXYWYQMTMP-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.04
Rot. Bonds6

About 1-(benzylamino)-3-(1,3-thiazol-2-yl)propan-2-one

1-(benzylamino)-3-(1,3-thiazol-2-yl)propan-2-one (PubChem CID 58516398) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-(benzylamino)-3-(1,3-thiazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(benzylamino)-3-(1,3-thiazol-2-yl)propan-2-one
PubChem CID58516398
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name1-(benzylamino)-3-(1,3-thiazol-2-yl)propan-2-one
SMILESO=C(CNCc1ccccc1)Cc1nccs1
InChIInChI=1S/C13H14N2OS/c16-12(8-13-15-6-7-17-13)10-14-9-11-4-2-1-3-5-11/h1-7,14H,8-10H2
InChIKeyCQHHLXYWYQMTMP-UHFFFAOYSA-N
XLogP2.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 4777619
2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110442320
1-benzyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 49470436
1-(benzylamino)-3-chloropropan-2-one
CID 91104942
1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide
CID 173018716
4-amino-4-phenyl-1-(1,3-thiazol-2-yl)butan-2-one
CID 116552998
1-(1,3-thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 79824667
4-amino-1-(benzylamino)butan-2-one
CID 83967308
5-(benzylamino)-4-oxopentanoic acid
CID 141297072
1-(2-benzoylphenyl)-3-(1,3-thiazol-2-yl)propan-2-one
CID 58541459
1-(benzylamino)-4,4-dimethylpentan-2-one
CID 165464983
2-[(1,3-thiazol-2-ylmethylamino)methyl]phenol
CID 61284615

Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-3-(1,3-thiazol-2-yl)propan-2-one?
The IUPAC name of 1-(benzylamino)-3-(1,3-thiazol-2-yl)propan-2-one (CID 58516398) is 1-(benzylamino)-3-(1,3-thiazol-2-yl)propan-2-one.
What is the SMILES notation for 1-(benzylamino)-3-(1,3-thiazol-2-yl)propan-2-one?
The canonical SMILES for 1-(benzylamino)-3-(1,3-thiazol-2-yl)propan-2-one is O=C(CNCc1ccccc1)Cc1nccs1.
What is the InChIKey of 1-(benzylamino)-3-(1,3-thiazol-2-yl)propan-2-one?
The InChIKey is CQHHLXYWYQMTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c16-12(8-13-15-6-7-17-13)10-14-9-11-4-2-1-3-5-11/h1-7,14H,8-10H2.
What are the key properties of 1-(benzylamino)-3-(1,3-thiazol-2-yl)propan-2-one?
1-(benzylamino)-3-(1,3-thiazol-2-yl)propan-2-one has a molecular weight of 246.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-3-(1,3-thiazol-2-yl)propan-2-one is sourced from PubChem (CID 58516398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).