1-cyclopropyl-4-(1,3-thiazol-2-yl)butan-1-one

C10H13NOS — CID 79824416

IUPAC1-cyclopropyl-4-(1,3-thiazol-2-yl)butan-1-one
SMILESO=C(CCCc1nccs1)C1CC1
InChIInChI=1S/C10H13NOS/c12-9(8-4-5-8)2-1-3-10-11-6-7-13-10/h6-8H,1-5H2
InChIKeyTYSRQQRJYJSFGT-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.44
Rot. Bonds5

About 1-cyclopropyl-4-(1,3-thiazol-2-yl)butan-1-one

1-cyclopropyl-4-(1,3-thiazol-2-yl)butan-1-one (PubChem CID 79824416) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-cyclopropyl-4-(1,3-thiazol-2-yl)butan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-4-(1,3-thiazol-2-yl)butan-1-one
PubChem CID79824416
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name1-cyclopropyl-4-(1,3-thiazol-2-yl)butan-1-one
SMILESO=C(CCCc1nccs1)C1CC1
InChIInChI=1S/C10H13NOS/c12-9(8-4-5-8)2-1-3-10-11-6-7-13-10/h6-8H,1-5H2
InChIKeyTYSRQQRJYJSFGT-UHFFFAOYSA-N
XLogP2.44
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-Dimethyl-1-(1,3-thiazol-2-yl)butan-2-one
CID 13597314
7,7,7-Trifluoro-5-(1,3-thiazol-2-yl)heptan-2-one
CID 164670296
6,6,6-Trifluoro-4-methyl-1-(1,3-thiazol-2-yl)hexan-1-one
CID 164670421
4,4-Dimethyl-1-(1,3-thiazol-2-yl)pentan-1-one
CID 10845613
4-Fluoro-4-(thiazol-2-yl)cyclohexanone
CID 67499337
2-Fluoro-3,5-dimethyl-1-(1,3-thiazol-2-yl)hexan-1-one
CID 123484690
2-Fluoro-3,3,5,5-tetramethyl-1-(1,3-thiazol-2-yl)hexan-1-one
CID 129233521
2-(1,3-Thiazol-2-yl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 105117993
1-(4,4-Difluorocyclohexyl)-2-(1,3-thiazol-2-yl)ethanone
CID 105118013
2-(1,3-Thiazol-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanone
CID 113682650
2-(1,3-Thiazol-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 113682654
1-(3,3-Difluorocyclopentyl)-2-(1,3-thiazol-2-yl)ethanone
CID 130484840

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(1,3-thiazol-2-yl)butan-1-one?
The IUPAC name of 1-cyclopropyl-4-(1,3-thiazol-2-yl)butan-1-one (CID 79824416) is 1-cyclopropyl-4-(1,3-thiazol-2-yl)butan-1-one.
What is the SMILES notation for 1-cyclopropyl-4-(1,3-thiazol-2-yl)butan-1-one?
The canonical SMILES for 1-cyclopropyl-4-(1,3-thiazol-2-yl)butan-1-one is O=C(CCCc1nccs1)C1CC1.
What is the InChIKey of 1-cyclopropyl-4-(1,3-thiazol-2-yl)butan-1-one?
The InChIKey is TYSRQQRJYJSFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c12-9(8-4-5-8)2-1-3-10-11-6-7-13-10/h6-8H,1-5H2.
What are the key properties of 1-cyclopropyl-4-(1,3-thiazol-2-yl)butan-1-one?
1-cyclopropyl-4-(1,3-thiazol-2-yl)butan-1-one has a molecular weight of 195.29 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(1,3-thiazol-2-yl)butan-1-one is sourced from PubChem (CID 79824416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).