3-(1,3-benzothiazol-2-ylamino)benzamide

C14H11N3OS — CID 103602868

IUPAC3-(1,3-benzothiazol-2-ylamino)benzamide
SMILESNC(=O)c1cccc(Nc2nc3ccccc3s2)c1
InChIInChI=1S/C14H11N3OS/c15-13(18)9-4-3-5-10(8-9)16-14-17-11-6-1-2-7-12(11)19-14/h1-8H,(H2,15,18)(H,16,17)
InChIKeyNOOGUQYNMJKJHQ-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.14
Rot. Bonds3

About 3-(1,3-benzothiazol-2-ylamino)benzamide

3-(1,3-benzothiazol-2-ylamino)benzamide (PubChem CID 103602868) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-ylamino)benzamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-ylamino)benzamide
PubChem CID103602868
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name3-(1,3-benzothiazol-2-ylamino)benzamide
SMILESNC(=O)c1cccc(Nc2nc3ccccc3s2)c1
InChIInChI=1S/C14H11N3OS/c15-13(18)9-4-3-5-10(8-9)16-14-17-11-6-1-2-7-12(11)19-14/h1-8H,(H2,15,18)(H,16,17)
InChIKeyNOOGUQYNMJKJHQ-UHFFFAOYSA-N
XLogP3.14
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzothiazol-2-ylamino)benzenesulfonamide
CID 29067972
N-phenyl-1,3-benzothiazol-2-amine;1H-pyrazole-5-carboxamide
CID 174676859
N-naphthalen-2-yl-1,3-benzothiazol-2-amine
CID 54164580
N-[2-[3-(1,3-benzothiazol-2-ylamino)anilino]-2-oxoethyl]-2-phenylacetamide
CID 51125990
3-[(2-methylquinolin-4-yl)amino]benzamide
CID 90862215
2-acetamido-1,3-benzothiazole-6-carboxamide
CID 816956
4-(1,3-benzothiazol-2-ylamino)-2-fluorophenol;hydrochloride
CID 142733952
4-amino-3-(1,3-benzothiazol-2-ylamino)benzoic acid
CID 82784813
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
3,5-diacetamido-N-(1,3-benzothiazol-2-yl)benzamide
CID 35997967
3,5-diamino-N-(1,3-benzothiazol-2-yl)benzamide
CID 61092934
3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide
CID 142684609

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-ylamino)benzamide?
The IUPAC name of 3-(1,3-benzothiazol-2-ylamino)benzamide (CID 103602868) is 3-(1,3-benzothiazol-2-ylamino)benzamide.
What is the SMILES notation for 3-(1,3-benzothiazol-2-ylamino)benzamide?
The canonical SMILES for 3-(1,3-benzothiazol-2-ylamino)benzamide is NC(=O)c1cccc(Nc2nc3ccccc3s2)c1.
What is the InChIKey of 3-(1,3-benzothiazol-2-ylamino)benzamide?
The InChIKey is NOOGUQYNMJKJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c15-13(18)9-4-3-5-10(8-9)16-14-17-11-6-1-2-7-12(11)19-14/h1-8H,(H2,15,18)(H,16,17).
What are the key properties of 3-(1,3-benzothiazol-2-ylamino)benzamide?
3-(1,3-benzothiazol-2-ylamino)benzamide has a molecular weight of 269.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-ylamino)benzamide is sourced from PubChem (CID 103602868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).