1-(cyclopropylamino)-3-(1,3-thiazol-5-yl)propan-2-one

C9H12N2OS — CID 116555141

IUPAC1-(cyclopropylamino)-3-(1,3-thiazol-5-yl)propan-2-one
SMILESO=C(CNC1CC1)Cc1cncs1
InChIInChI=1S/C9H12N2OS/c12-8(4-11-7-1-2-7)3-9-5-10-6-13-9/h5-7,11H,1-4H2
InChIKeyVZRCYGNJIASGCC-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.01
Rot. Bonds5

About 1-(cyclopropylamino)-3-(1,3-thiazol-5-yl)propan-2-one

1-(cyclopropylamino)-3-(1,3-thiazol-5-yl)propan-2-one (PubChem CID 116555141) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(1,3-thiazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(1,3-thiazol-5-yl)propan-2-one
PubChem CID116555141
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name1-(cyclopropylamino)-3-(1,3-thiazol-5-yl)propan-2-one
SMILESO=C(CNC1CC1)Cc1cncs1
InChIInChI=1S/C9H12N2OS/c12-8(4-11-7-1-2-7)3-9-5-10-6-13-9/h5-7,11H,1-4H2
InChIKeyVZRCYGNJIASGCC-UHFFFAOYSA-N
XLogP1.01
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-(1,3-thiazol-5-yl)propan-2-one
CID 115796129
1-(cyclopentylamino)-3-thiophen-2-ylpropan-2-one
CID 116558991
4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one
CID 112642314
4-(oxolan-2-yl)-1-(1,3-thiazol-5-yl)butan-2-one
CID 115796077
1-cyclohexyl-1-hydroxy-3-(1,3-thiazol-5-yl)propan-2-one
CID 103457418
2-[4-(1,3-thiazol-5-ylmethylamino)piperidin-1-yl]acetamide
CID 62759264
N-[[2-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 112645575
2-(1,3-thiazol-5-ylmethylamino)cyclohexan-1-ol
CID 62758912
1-ethoxy-3-(1,3-thiazol-5-yl)propan-2-one
CID 112642366
3-(cyclopropylamino)-2-methyl-3-oxo-2-(1,3-thiazol-5-ylmethyl)propanoic acid
CID 114900382
1,2-bis(1,3-thiazol-5-yl)ethanone
CID 112642435
1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
CID 112642355

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(1,3-thiazol-5-yl)propan-2-one?
The IUPAC name of 1-(cyclopropylamino)-3-(1,3-thiazol-5-yl)propan-2-one (CID 116555141) is 1-(cyclopropylamino)-3-(1,3-thiazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(cyclopropylamino)-3-(1,3-thiazol-5-yl)propan-2-one?
The canonical SMILES for 1-(cyclopropylamino)-3-(1,3-thiazol-5-yl)propan-2-one is O=C(CNC1CC1)Cc1cncs1.
What is the InChIKey of 1-(cyclopropylamino)-3-(1,3-thiazol-5-yl)propan-2-one?
The InChIKey is VZRCYGNJIASGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c12-8(4-11-7-1-2-7)3-9-5-10-6-13-9/h5-7,11H,1-4H2.
What are the key properties of 1-(cyclopropylamino)-3-(1,3-thiazol-5-yl)propan-2-one?
1-(cyclopropylamino)-3-(1,3-thiazol-5-yl)propan-2-one has a molecular weight of 196.27 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(1,3-thiazol-5-yl)propan-2-one is sourced from PubChem (CID 116555141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).