1-(3-cyclopropyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone

C10H13NOS — CID 143565308

IUPAC1-(3-cyclopropyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone
SMILESC=C1SC(C(C)=O)=C(C)N1C1CC1
InChIInChI=1S/C10H13NOS/c1-6-10(7(2)12)13-8(3)11(6)9-4-5-9/h9H,3-5H2,1-2H3
InChIKeyGVRCBFNALZGUSU-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.49
Rot. Bonds2

About 1-(3-cyclopropyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone

1-(3-cyclopropyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone (PubChem CID 143565308) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-(3-cyclopropyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-cyclopropyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone
PubChem CID143565308
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name1-(3-cyclopropyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone
SMILESC=C1SC(C(C)=O)=C(C)N1C1CC1
InChIInChI=1S/C10H13NOS/c1-6-10(7(2)12)13-8(3)11(6)9-4-5-9/h9H,3-5H2,1-2H3
InChIKeyGVRCBFNALZGUSU-UHFFFAOYSA-N
XLogP2.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(3-cyclopropyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone (CID 143565308) is 1-(3-cyclopropyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-cyclopropyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(3-cyclopropyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone is C=C1SC(C(C)=O)=C(C)N1C1CC1.
What is the InChIKey of 1-(3-cyclopropyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone?
The InChIKey is GVRCBFNALZGUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-6-10(7(2)12)13-8(3)11(6)9-4-5-9/h9H,3-5H2,1-2H3.
What are the key properties of 1-(3-cyclopropyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone?
1-(3-cyclopropyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone has a molecular weight of 195.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-4-methyl-2-methylidene-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 143565308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).