1-[5-(2-oxopropyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]pentan-2-one

C15H17NO2S2 — CID 157434059

IUPAC1-[5-(2-oxopropyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]pentan-2-one
SMILESCCCC(=O)Cc1nc(-c2cccs2)c(CC(C)=O)s1
InChIInChI=1S/C15H17NO2S2/c1-3-5-11(18)9-14-16-15(12-6-4-7-19-12)13(20-14)8-10(2)17/h4,6-7H,3,5,8-9H2,1-2H3
InChIKeyAXWRVSASZNMNHM-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.91
Rot. Bonds7

About 1-[5-(2-oxopropyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]pentan-2-one

1-[5-(2-oxopropyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]pentan-2-one (PubChem CID 157434059) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[5-(2-oxopropyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]pentan-2-one.

Molecular Properties

Compound Name1-[5-(2-oxopropyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]pentan-2-one
PubChem CID157434059
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC Name1-[5-(2-oxopropyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]pentan-2-one
SMILESCCCC(=O)Cc1nc(-c2cccs2)c(CC(C)=O)s1
InChIInChI=1S/C15H17NO2S2/c1-3-5-11(18)9-14-16-15(12-6-4-7-19-12)13(20-14)8-10(2)17/h4,6-7H,3,5,8-9H2,1-2H3
InChIKeyAXWRVSASZNMNHM-UHFFFAOYSA-N
XLogP3.91
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-propyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanamine
CID 82069570
methyl 2-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetate
CID 61334161
1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one
CID 116966409
1-(1,3-thiazol-2-yl)pentan-2-one
CID 63199328
2-oxopropyl 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate
CID 7998369
ethyl 5-methyl-4-thiophen-2-yl-1,3-thiazole-2-carboxylate
CID 61385398
N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 861899
1-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-one
CID 118609248
2-[2-[6-(dimethylamino)-3-pyridinyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]acetic acid
CID 59384926
2-[(dimethylamino)methyl]-4-thiophen-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227401
1-(3-thiophen-2-yl-1,2,4-triazin-5-yl)butan-1-one
CID 121219732
5-ethyl-4-thiophen-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 46736490

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-oxopropyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]pentan-2-one?
The IUPAC name of 1-[5-(2-oxopropyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]pentan-2-one (CID 157434059) is 1-[5-(2-oxopropyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]pentan-2-one.
What is the SMILES notation for 1-[5-(2-oxopropyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]pentan-2-one?
The canonical SMILES for 1-[5-(2-oxopropyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]pentan-2-one is CCCC(=O)Cc1nc(-c2cccs2)c(CC(C)=O)s1.
What is the InChIKey of 1-[5-(2-oxopropyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]pentan-2-one?
The InChIKey is AXWRVSASZNMNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c1-3-5-11(18)9-14-16-15(12-6-4-7-19-12)13(20-14)8-10(2)17/h4,6-7H,3,5,8-9H2,1-2H3.
What are the key properties of 1-[5-(2-oxopropyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]pentan-2-one?
1-[5-(2-oxopropyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]pentan-2-one has a molecular weight of 307.44 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-oxopropyl)-4-thiophen-2-yl-1,3-thiazol-2-yl]pentan-2-one is sourced from PubChem (CID 157434059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).