3-amino-4,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide

C13H13Cl2N3OS — CID 63238860

IUPAC3-amino-4,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1csc(CCNC(=O)c2cc(N)c(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H13Cl2N3OS/c1-7-6-20-11(18-7)2-3-17-13(19)8-4-9(14)12(15)10(16)5-8/h4-6H,2-3,16H2,1H3,(H,17,19)
InChIKeyMWBBDVRIWZHSIZ-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.31
Rot. Bonds4

About 3-amino-4,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide

3-amino-4,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 63238860) has the molecular formula C13H13Cl2N3OS and a molecular weight of 330.24 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID63238860
Molecular FormulaC13H13Cl2N3OS
Molecular Weight330.24 g/mol
Exact Mass329.02
IUPAC Name3-amino-4,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
SMILESCc1csc(CCNC(=O)c2cc(N)c(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H13Cl2N3OS/c1-7-6-20-11(18-7)2-3-17-13(19)8-4-9(14)12(15)10(16)5-8/h4-6H,2-3,16H2,1H3,(H,17,19)
InChIKeyMWBBDVRIWZHSIZ-UHFFFAOYSA-N
XLogP3.31
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 113286157
4-(4-methyl-1,3-thiazol-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 51100707
2-amino-4,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238520
N-(2-acetamidoethyl)-3-amino-4,5-dichlorobenzamide
CID 61095227
3-amino-2,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 107121045
2-[2-[(4-amino-3-chlorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374980
2-amino-5-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238603
2-amino-6-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238942
4-bromo-3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112705731
5-chloro-2-(methylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 114923493
2-(2-aminophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 63238856
4-amino-2-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238521

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide (CID 63238860) is 3-amino-4,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide is Cc1csc(CCNC(=O)c2cc(N)c(Cl)c(Cl)c2)n1.
What is the InChIKey of 3-amino-4,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is MWBBDVRIWZHSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3OS/c1-7-6-20-11(18-7)2-3-17-13(19)8-4-9(14)12(15)10(16)5-8/h4-6H,2-3,16H2,1H3,(H,17,19).
What are the key properties of 3-amino-4,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide?
3-amino-4,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 330.24 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dichloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 63238860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).