4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-3-one

C10H15NOS — CID 22572781

IUPAC4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-3-one
SMILESCc1ncsc1CCC(=O)C(C)C
InChIInChI=1S/C10H15NOS/c1-7(2)9(12)4-5-10-8(3)11-6-13-10/h6-7H,4-5H2,1-3H3
InChIKeyIDBZUBNEGDNHDO-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.61
Rot. Bonds4

About 4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-3-one

4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-3-one (PubChem CID 22572781) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-3-one.

Molecular Properties

Compound Name4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-3-one
PubChem CID22572781
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-3-one
SMILESCc1ncsc1CCC(=O)C(C)C
InChIInChI=1S/C10H15NOS/c1-7(2)9(12)4-5-10-8(3)11-6-13-10/h6-7H,4-5H2,1-3H3
InChIKeyIDBZUBNEGDNHDO-UHFFFAOYSA-N
XLogP2.61
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-3-one?
The IUPAC name of 4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-3-one (CID 22572781) is 4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-3-one.
What is the SMILES notation for 4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-3-one?
The canonical SMILES for 4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-3-one is Cc1ncsc1CCC(=O)C(C)C.
What is the InChIKey of 4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-3-one?
The InChIKey is IDBZUBNEGDNHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-7(2)9(12)4-5-10-8(3)11-6-13-10/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-3-one?
4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-3-one has a molecular weight of 197.30 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pentan-3-one is sourced from PubChem (CID 22572781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).