(5-chlorothiophen-2-yl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone

C9H7ClN2OS2 — CID 82132569

IUPAC(5-chlorothiophen-2-yl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone
SMILESCNc1nc(C(=O)c2ccc(Cl)s2)cs1
InChIInChI=1S/C9H7ClN2OS2/c1-11-9-12-5(4-14-9)8(13)6-2-3-7(10)15-6/h2-4H,1H3,(H,11,12)
InChIKeyOORRPAKGDJIZEY-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.13
Rot. Bonds3

About (5-chlorothiophen-2-yl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone

(5-chlorothiophen-2-yl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone (PubChem CID 82132569) has the molecular formula C9H7ClN2OS2 and a molecular weight of 258.75 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone
PubChem CID82132569
Molecular FormulaC9H7ClN2OS2
Molecular Weight258.75 g/mol
Exact Mass257.97
IUPAC Name(5-chlorothiophen-2-yl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone
SMILESCNc1nc(C(=O)c2ccc(Cl)s2)cs1
InChIInChI=1S/C9H7ClN2OS2/c1-11-9-12-5(4-14-9)8(13)6-2-3-7(10)15-6/h2-4H,1H3,(H,11,12)
InChIKeyOORRPAKGDJIZEY-UHFFFAOYSA-N
XLogP3.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone (CID 82132569) is (5-chlorothiophen-2-yl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone is CNc1nc(C(=O)c2ccc(Cl)s2)cs1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
The InChIKey is OORRPAKGDJIZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2OS2/c1-11-9-12-5(4-14-9)8(13)6-2-3-7(10)15-6/h2-4H,1H3,(H,11,12).
What are the key properties of (5-chlorothiophen-2-yl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone?
(5-chlorothiophen-2-yl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone has a molecular weight of 258.75 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-[2-(methylamino)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 82132569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).