3-amino-4,5-dichloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide

C12H11Cl2N3OS — CID 55013795

IUPAC3-amino-4,5-dichloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESCN(Cc1cscn1)C(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2N3OS/c1-17(4-8-5-19-6-16-8)12(18)7-2-9(13)11(14)10(15)3-7/h2-3,5-6H,4,15H2,1H3
InChIKeyXMKRJICQOSEOGI-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.30
Rot. Bonds3

About 3-amino-4,5-dichloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide

3-amino-4,5-dichloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide (PubChem CID 55013795) has the molecular formula C12H11Cl2N3OS and a molecular weight of 316.21 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
PubChem CID55013795
Molecular FormulaC12H11Cl2N3OS
Molecular Weight316.21 g/mol
Exact Mass315.00
IUPAC Name3-amino-4,5-dichloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
SMILESCN(Cc1cscn1)C(=O)c1cc(N)c(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2N3OS/c1-17(4-8-5-19-6-16-8)12(18)7-2-9(13)11(14)10(15)3-7/h2-3,5-6H,4,15H2,1H3
InChIKeyXMKRJICQOSEOGI-UHFFFAOYSA-N
XLogP3.30
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-chloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
CID 62159832
4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55013339
3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63189346
3-amino-5-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 81089891
3-amino-4,5-dichloro-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 61118649
2,3-dichloro-N-methyl-5-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107188640
3-amino-5-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107872599
2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 65349208
4-fluoro-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55163854
3-hydroxy-4-iodo-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 113434706
3-amino-4,5-dichloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426755
4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide
CID 47402715

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide (CID 55013795) is 3-amino-4,5-dichloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide is CN(Cc1cscn1)C(=O)c1cc(N)c(Cl)c(Cl)c1.
What is the InChIKey of 3-amino-4,5-dichloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
The InChIKey is XMKRJICQOSEOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3OS/c1-17(4-8-5-19-6-16-8)12(18)7-2-9(13)11(14)10(15)3-7/h2-3,5-6H,4,15H2,1H3.
What are the key properties of 3-amino-4,5-dichloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide?
3-amino-4,5-dichloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide has a molecular weight of 316.21 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dichloro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide is sourced from PubChem (CID 55013795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).