(3-fluorothiophen-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone

C9H6FNOS2 — CID 131165443

IUPAC(3-fluorothiophen-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)c2sccc2F)cs1
InChIInChI=1S/C9H6FNOS2/c1-5-11-7(4-14-5)8(12)9-6(10)2-3-13-9/h2-4H,1H3
InChIKeyASUBTTCVPGFZOE-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.88
Rot. Bonds2

About (3-fluorothiophen-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone

(3-fluorothiophen-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone (PubChem CID 131165443) has the molecular formula C9H6FNOS2 and a molecular weight of 227.28 g/mol. Its IUPAC name is (3-fluorothiophen-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3-fluorothiophen-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
PubChem CID131165443
Molecular FormulaC9H6FNOS2
Molecular Weight227.28 g/mol
Exact Mass226.99
IUPAC Name(3-fluorothiophen-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)c2sccc2F)cs1
InChIInChI=1S/C9H6FNOS2/c1-5-11-7(4-14-5)8(12)9-6(10)2-3-13-9/h2-4H,1H3
InChIKeyASUBTTCVPGFZOE-UHFFFAOYSA-N
XLogP2.88
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluorothiophen-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (3-fluorothiophen-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone (CID 131165443) is (3-fluorothiophen-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3-fluorothiophen-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3-fluorothiophen-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)c2sccc2F)cs1.
What is the InChIKey of (3-fluorothiophen-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
The InChIKey is ASUBTTCVPGFZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNOS2/c1-5-11-7(4-14-5)8(12)9-6(10)2-3-13-9/h2-4H,1H3.
What are the key properties of (3-fluorothiophen-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone?
(3-fluorothiophen-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone has a molecular weight of 227.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorothiophen-2-yl)-(2-methyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 131165443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).