3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide

C19H17N3O2S — CID 9321514

IUPAC3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)Nc3nccs3)c2)cc1C
InChIInChI=1S/C19H17N3O2S/c1-12-6-7-15(10-13(12)2)17(23)21-16-5-3-4-14(11-16)18(24)22-19-20-8-9-25-19/h3-11H,1-2H3,(H,21,23)(H,20,22,24)
InChIKeyRYOOBNXSNMOAMH-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.26
Rot. Bonds4

About 3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide

3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide (PubChem CID 9321514) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
PubChem CID9321514
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)Nc3nccs3)c2)cc1C
InChIInChI=1S/C19H17N3O2S/c1-12-6-7-15(10-13(12)2)17(23)21-16-5-3-4-14(11-16)18(24)22-19-20-8-9-25-19/h3-11H,1-2H3,(H,21,23)(H,20,22,24)
InChIKeyRYOOBNXSNMOAMH-UHFFFAOYSA-N
XLogP4.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-phenylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361308
N-(1,3-thiazol-2-yl)-3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]benzamide
CID 17296385
3-(2-ethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 977043
3-[[(2R)-2-methylbutanoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 27262078
3-amino-4-methyl-N-(1,3-thiazol-2-yl)benzamide
CID 16771043
N-[4-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 17361346
[2-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamic acid
CID 87845278
2-ethoxy-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 9321520
3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 17362164
N-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide
CID 35374224
2-(3,4-dimethylphenyl)sulfanyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 55602031
3-[3-(2-methoxyphenyl)propanoylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361430

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide (CID 9321514) is 3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3nccs3)c2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
The InChIKey is RYOOBNXSNMOAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-12-6-7-15(10-13(12)2)17(23)21-16-5-3-4-14(11-16)18(24)22-19-20-8-9-25-19/h3-11H,1-2H3,(H,21,23)(H,20,22,24).
What are the key properties of 3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide?
3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide has a molecular weight of 351.43 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 9321514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).