4-amino-3,5-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide

C13H13Cl2N3OS — CID 82832587

IUPAC4-amino-3,5-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncsc1CN(C)C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H13Cl2N3OS/c1-7-11(20-6-17-7)5-18(2)13(19)8-3-9(14)12(16)10(15)4-8/h3-4,6H,5,16H2,1-2H3
InChIKeyBQMASEDXLSLWET-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.61
Rot. Bonds3

About 4-amino-3,5-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide

4-amino-3,5-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide (PubChem CID 82832587) has the molecular formula C13H13Cl2N3OS and a molecular weight of 330.24 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
PubChem CID82832587
Molecular FormulaC13H13Cl2N3OS
Molecular Weight330.24 g/mol
Exact Mass329.02
IUPAC Name4-amino-3,5-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
SMILESCc1ncsc1CN(C)C(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H13Cl2N3OS/c1-7-11(20-6-17-7)5-18(2)13(19)8-3-9(14)12(16)10(15)4-8/h3-4,6H,5,16H2,1-2H3
InChIKeyBQMASEDXLSLWET-UHFFFAOYSA-N
XLogP3.61
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.61
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

3,5-dihydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 104939000
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63843592
5-chloro-6-(ethylamino)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 63838798
4-chloro-3-methoxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 99780348
4-carbamothioyl-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63821276
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
3-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyridine-2-carboxamide
CID 104742351
3-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 79691568
5-amino-2-bromo-4-fluoro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63843761
5-amino-2-methoxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63843759
4-amino-3-ethyl-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide
CID 66116977
5-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]pyrazine-2-carboxylic acid
CID 120685501

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide (CID 82832587) is 4-amino-3,5-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide is Cc1ncsc1CN(C)C(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
The InChIKey is BQMASEDXLSLWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3OS/c1-7-11(20-6-17-7)5-18(2)13(19)8-3-9(14)12(16)10(15)4-8/h3-4,6H,5,16H2,1-2H3.
What are the key properties of 4-amino-3,5-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide?
4-amino-3,5-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide has a molecular weight of 330.24 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 82832587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).