4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

C16H14N4O2S — CID 78768294

IUPAC4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3ccc(NC(N)=O)cc3)sc2c1
InChIInChI=1S/C16H14N4O2S/c1-9-2-7-12-13(8-9)23-16(19-12)20-14(21)10-3-5-11(6-4-10)18-15(17)22/h2-8H,1H3,(H3,17,18,22)(H,19,20,21)
InChIKeyRFUZKLSSCZCWOM-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.35
Rot. Bonds3

About 4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide

4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 78768294) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID78768294
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc2nc(NC(=O)c3ccc(NC(N)=O)cc3)sc2c1
InChIInChI=1S/C16H14N4O2S/c1-9-2-7-12-13(8-9)23-16(19-12)20-14(21)10-3-5-11(6-4-10)18-15(17)22/h2-8H,1H3,(H3,17,18,22)(H,19,20,21)
InChIKeyRFUZKLSSCZCWOM-UHFFFAOYSA-N
XLogP3.35
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
3-amino-4-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 61091774
3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983210
[4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 5182181
2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334
4-bromo-3-hydroxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 103830434
3-acetamido-4-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 46484893
[4-[4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]phenyl] acetate
CID 2344214
4-(cyclopropylsulfamoyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983360
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
[4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(3-methylphenyl)iodanium bromide
CID 87394550
4-amino-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
CID 58341983

Frequently Asked Questions

What is the IUPAC name of 4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide (CID 78768294) is 4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is Cc1ccc2nc(NC(=O)c3ccc(NC(N)=O)cc3)sc2c1.
What is the InChIKey of 4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is RFUZKLSSCZCWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-9-2-7-12-13(8-9)23-16(19-12)20-14(21)10-3-5-11(6-4-10)18-15(17)22/h2-8H,1H3,(H3,17,18,22)(H,19,20,21).
What are the key properties of 4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide?
4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 326.38 g/mol, XLogP of 3.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 78768294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).