4-amino-3-chloro-5-methyl-N-(1,3-thiazol-2-yl)benzamide

C11H10ClN3OS — CID 86046988

IUPAC4-amino-3-chloro-5-methyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1cc(C(=O)Nc2nccs2)cc(Cl)c1N
InChIInChI=1S/C11H10ClN3OS/c1-6-4-7(5-8(12)9(6)13)10(16)15-11-14-2-3-17-11/h2-5H,13H2,1H3,(H,14,15,16)
InChIKeyCHPYEHFMMDLDCV-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.94
Rot. Bonds2

About 4-amino-3-chloro-5-methyl-N-(1,3-thiazol-2-yl)benzamide

4-amino-3-chloro-5-methyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 86046988) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 4-amino-3-chloro-5-methyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-chloro-5-methyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID86046988
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name4-amino-3-chloro-5-methyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCc1cc(C(=O)Nc2nccs2)cc(Cl)c1N
InChIInChI=1S/C11H10ClN3OS/c1-6-4-7(5-8(12)9(6)13)10(16)15-11-14-2-3-17-11/h2-5H,13H2,1H3,(H,14,15,16)
InChIKeyCHPYEHFMMDLDCV-UHFFFAOYSA-N
XLogP2.94
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.94
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

4-amino-3-chloro-5-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 62154502
3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 16771043
3-amino-5-fluoro-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 60861340
[2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid
CID 87845278
3-chloro-4-(methylamino)-5-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 62173212
3,5-difluoro-4-hydrazinyl-N-(1,3-thiazol-2-yl)benzamide
CID 63186769
3,5-difluoro-4-(methylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 55160396
5-ethyl-N-(1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 3354816
3,5-dichloro-4-methoxy-N-[2-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 17361254
4-(butanoylamino)-3-chloro-N-(1,3-thiazol-2-yl)benzamide
CID 11347887
3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 9321514
3-amino-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 61090146

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-5-methyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-amino-3-chloro-5-methyl-N-(1,3-thiazol-2-yl)benzamide (CID 86046988) is 4-amino-3-chloro-5-methyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-amino-3-chloro-5-methyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-amino-3-chloro-5-methyl-N-(1,3-thiazol-2-yl)benzamide is Cc1cc(C(=O)Nc2nccs2)cc(Cl)c1N.
What is the InChIKey of 4-amino-3-chloro-5-methyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is CHPYEHFMMDLDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-6-4-7(5-8(12)9(6)13)10(16)15-11-14-2-3-17-11/h2-5H,13H2,1H3,(H,14,15,16).
What are the key properties of 4-amino-3-chloro-5-methyl-N-(1,3-thiazol-2-yl)benzamide?
4-amino-3-chloro-5-methyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 267.74 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-5-methyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 86046988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).