(4-propylthiadiazol-5-yl)-thiophen-3-ylmethanone

C10H10N2OS2 — CID 105104983

IUPAC(4-propylthiadiazol-5-yl)-thiophen-3-ylmethanone
SMILESCCCc1nnsc1C(=O)c1ccsc1
InChIInChI=1S/C10H10N2OS2/c1-2-3-8-10(15-12-11-8)9(13)7-4-5-14-6-7/h4-6H,2-3H2,1H3
InChIKeyUKKGBCASYUBWIP-UHFFFAOYSA-N
MW238.34 g/mol
LogP2.78
Rot. Bonds4

About (4-propylthiadiazol-5-yl)-thiophen-3-ylmethanone

(4-propylthiadiazol-5-yl)-thiophen-3-ylmethanone (PubChem CID 105104983) has the molecular formula C10H10N2OS2 and a molecular weight of 238.34 g/mol. Its IUPAC name is (4-propylthiadiazol-5-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(4-propylthiadiazol-5-yl)-thiophen-3-ylmethanone
PubChem CID105104983
Molecular FormulaC10H10N2OS2
Molecular Weight238.34 g/mol
Exact Mass238.02
IUPAC Name(4-propylthiadiazol-5-yl)-thiophen-3-ylmethanone
SMILESCCCc1nnsc1C(=O)c1ccsc1
InChIInChI=1S/C10H10N2OS2/c1-2-3-8-10(15-12-11-8)9(13)7-4-5-14-6-7/h4-6H,2-3H2,1H3
InChIKeyUKKGBCASYUBWIP-UHFFFAOYSA-N
XLogP2.78
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methylthiophen-3-yl)-(4-propylthiadiazol-5-yl)methanone
CID 105106059
(4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanone
CID 105105093
(2-methylphenyl)-(4-propylthiadiazol-5-yl)methanone
CID 105080193
(2-chlorophenyl)-(4-propylthiadiazol-5-yl)methanone
CID 105081421
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(4-propylthiadiazol-5-yl)methanone
CID 105096105
(3-cyclobutylphenyl)-(4-propylthiadiazol-5-yl)methanone
CID 105135149
1-(4-ethylthiadiazol-5-yl)-2-thiophen-3-ylethanone
CID 105091135
3,4-dihydro-2H-pyran-6-yl-(4-propylthiadiazol-5-yl)methanone
CID 102648517
(4-ethylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methanone
CID 105097609
(4-propylthiadiazol-5-yl)-quinolin-5-ylmethanone
CID 105121084
2-(3-bromothiophen-2-yl)-1-(4-propylthiadiazol-5-yl)ethanone
CID 105092769
(4-methoxy-2,5-dimethylphenyl)-(4-propylthiadiazol-5-yl)methanone
CID 105127206

Frequently Asked Questions

What is the IUPAC name of (4-propylthiadiazol-5-yl)-thiophen-3-ylmethanone?
The IUPAC name of (4-propylthiadiazol-5-yl)-thiophen-3-ylmethanone (CID 105104983) is (4-propylthiadiazol-5-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (4-propylthiadiazol-5-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (4-propylthiadiazol-5-yl)-thiophen-3-ylmethanone is CCCc1nnsc1C(=O)c1ccsc1.
What is the InChIKey of (4-propylthiadiazol-5-yl)-thiophen-3-ylmethanone?
The InChIKey is UKKGBCASYUBWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS2/c1-2-3-8-10(15-12-11-8)9(13)7-4-5-14-6-7/h4-6H,2-3H2,1H3.
What are the key properties of (4-propylthiadiazol-5-yl)-thiophen-3-ylmethanone?
(4-propylthiadiazol-5-yl)-thiophen-3-ylmethanone has a molecular weight of 238.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylthiadiazol-5-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 105104983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).