2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide

C12H10Cl2N2OS — CID 39855023

IUPAC2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncc(CNC(=O)c2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C12H10Cl2N2OS/c1-7-15-5-9(18-7)6-16-12(17)10-4-8(13)2-3-11(10)14/h2-5H,6H2,1H3,(H,16,17)
InChIKeyGVNWCUYRQGZQPF-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.69
Rot. Bonds3

About 2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide

2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 39855023) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID39855023
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncc(CNC(=O)c2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C12H10Cl2N2OS/c1-7-15-5-9(18-7)6-16-12(17)10-4-8(13)2-3-11(10)14/h2-5H,6H2,1H3,(H,16,17)
InChIKeyGVNWCUYRQGZQPF-UHFFFAOYSA-N
XLogP3.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 61225336
4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 39855026
2-amino-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 114922785
2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728420
1-(2,5-dichlorophenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 61281619
6-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide
CID 61282849
3,4,5-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63189301
2-chloro-6-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4-carboxamide
CID 114219521
2-chloro-N,N-dimethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 60940622
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide
CID 39855027
5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzenecarbothioamide
CID 62493698
2-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 115413011

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide (CID 39855023) is 2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is Cc1ncc(CNC(=O)c2cc(Cl)ccc2Cl)s1.
What is the InChIKey of 2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is GVNWCUYRQGZQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c1-7-15-5-9(18-7)6-16-12(17)10-4-8(13)2-3-11(10)14/h2-5H,6H2,1H3,(H,16,17).
What are the key properties of 2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide?
2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 301.20 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 39855023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).