(4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanone

C10H10N2OS2 — CID 105105093

IUPAC(4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanone
SMILESCC(C)c1nnsc1C(=O)c1ccsc1
InChIInChI=1S/C10H10N2OS2/c1-6(2)8-10(15-12-11-8)9(13)7-3-4-14-5-7/h3-6H,1-2H3
InChIKeyAJJILTCLSZPLCV-UHFFFAOYSA-N
MW238.34 g/mol
LogP2.95
Rot. Bonds3

About (4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanone

(4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanone (PubChem CID 105105093) has the molecular formula C10H10N2OS2 and a molecular weight of 238.34 g/mol. Its IUPAC name is (4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanone
PubChem CID105105093
Molecular FormulaC10H10N2OS2
Molecular Weight238.34 g/mol
Exact Mass238.02
IUPAC Name(4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanone
SMILESCC(C)c1nnsc1C(=O)c1ccsc1
InChIInChI=1S/C10H10N2OS2/c1-6(2)8-10(15-12-11-8)9(13)7-3-4-14-5-7/h3-6H,1-2H3
InChIKeyAJJILTCLSZPLCV-UHFFFAOYSA-N
XLogP2.95
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanone?
The IUPAC name of (4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanone (CID 105105093) is (4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanone is CC(C)c1nnsc1C(=O)c1ccsc1.
What is the InChIKey of (4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanone?
The InChIKey is AJJILTCLSZPLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS2/c1-6(2)8-10(15-12-11-8)9(13)7-3-4-14-5-7/h3-6H,1-2H3.
What are the key properties of (4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanone?
(4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanone has a molecular weight of 238.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylthiadiazol-5-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 105105093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).