1-(5-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one

C15H17NOS — CID 159279317

IUPAC1-(5-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one
SMILESCc1cnc(CC(=O)CCCc2ccccc2)s1
InChIInChI=1S/C15H17NOS/c1-12-11-16-15(18-12)10-14(17)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,11H,5,8-10H2,1H3
InChIKeyKYSBPLDNGODPFN-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.59
Rot. Bonds6

About 1-(5-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one

1-(5-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one (PubChem CID 159279317) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-(5-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one.

Molecular Properties

Compound Name1-(5-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one
PubChem CID159279317
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name1-(5-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one
SMILESCc1cnc(CC(=O)CCCc2ccccc2)s1
InChIInChI=1S/C15H17NOS/c1-12-11-16-15(18-12)10-14(17)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,11H,5,8-10H2,1H3
InChIKeyKYSBPLDNGODPFN-UHFFFAOYSA-N
XLogP3.59
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one
CID 105118402
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylethanamine
CID 46784215
2-oxo-3-[5-(2-phenylethyl)-1,3-thiazol-2-yl]propanoic acid
CID 91261000
(2R)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide
CID 103814799
5-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-2-one
CID 105093132
1,9-diphenylnonan-5-one
CID 23467830
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
5-(4-bromophenyl)-1-phenylpentan-2-one
CID 157218581
1-amino-4-(5-methyl-1,3-thiazol-2-yl)butan-2-one
CID 82406553
1-(4-fluorophenyl)-5-phenylpentan-2-one
CID 61079516
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide
CID 110739412
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110739296

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one?
The IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one (CID 159279317) is 1-(5-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one.
What is the SMILES notation for 1-(5-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one?
The canonical SMILES for 1-(5-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one is Cc1cnc(CC(=O)CCCc2ccccc2)s1.
What is the InChIKey of 1-(5-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one?
The InChIKey is KYSBPLDNGODPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-12-11-16-15(18-12)10-14(17)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,11H,5,8-10H2,1H3.
What are the key properties of 1-(5-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one?
1-(5-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one has a molecular weight of 259.37 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-thiazol-2-yl)-5-phenylpentan-2-one is sourced from PubChem (CID 159279317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).