3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide

C12H10Cl2N2OS — CID 110284874

IUPAC3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1cscn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2OS/c13-10-2-1-8(5-11(10)14)12(17)15-4-3-9-6-18-7-16-9/h1-2,5-7H,3-4H2,(H,15,17)
InChIKeyWUVXIHCQJNLTRL-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.42
Rot. Bonds4

About 3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide

3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 110284874) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID110284874
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1cscn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2OS/c13-10-2-1-8(5-11(10)14)12(17)15-4-3-9-6-18-7-16-9/h1-2,5-7H,3-4H2,(H,15,17)
InChIKeyWUVXIHCQJNLTRL-UHFFFAOYSA-N
XLogP3.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103957000
4-amino-3-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63831827
4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63831646
3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 103841851
2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284893
3-methylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110313136
3,5-dimethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284873
4-(2-hydroxyethylsulfanyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 77078608
2-[(4-chlorophenyl)methyl]-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 56701357
2-cyclopropyl-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 25454808
4-(diethylsulfamoyl)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284882
5-chloro-2-ethylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 71974317

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (CID 110284874) is 3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is O=C(NCCc1cscn1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is WUVXIHCQJNLTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c13-10-2-1-8(5-11(10)14)12(17)15-4-3-9-6-18-7-16-9/h1-2,5-7H,3-4H2,(H,15,17).
What are the key properties of 3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 301.20 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 110284874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).