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

C11H8Cl2N2OS — CID 1485901

IUPAC(3,4-dichlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone
SMILESCNc1ncc(C(=O)c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C11H8Cl2N2OS/c1-14-11-15-5-9(17-11)10(16)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H,14,15)
InChIKeyXJMMGQRRJYYUJB-UHFFFAOYSA-N
MW287.17 g/mol
LogP3.72
Rot. Bonds3

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

(3,4-dichlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone (PubChem CID 1485901) has the molecular formula C11H8Cl2N2OS and a molecular weight of 287.17 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone
PubChem CID1485901
Molecular FormulaC11H8Cl2N2OS
Molecular Weight287.17 g/mol
Exact Mass285.97
IUPAC Name(3,4-dichlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone
SMILESCNc1ncc(C(=O)c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C11H8Cl2N2OS/c1-14-11-15-5-9(17-11)10(16)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H,14,15)
InChIKeyXJMMGQRRJYYUJB-UHFFFAOYSA-N
XLogP3.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone (CID 1485901) is (3,4-dichlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone is CNc1ncc(C(=O)c2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of (3,4-dichlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone?
The InChIKey is XJMMGQRRJYYUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2OS/c1-14-11-15-5-9(17-11)10(16)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H,14,15).
What are the key properties of (3,4-dichlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone?
(3,4-dichlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone has a molecular weight of 287.17 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 1485901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).