N-(6-acetamido-1,3-benzothiazol-2-yl)-4-acetyl-1H-pyrrole-2-carboxamide

C16H14N4O3S — CID 134036840

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-4-acetyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3cc(C(C)=O)c[nH]3)sc2c1
InChIInChI=1S/C16H14N4O3S/c1-8(21)10-5-13(17-7-10)15(23)20-16-19-12-4-3-11(18-9(2)22)6-14(12)24-16/h3-7,17H,1-2H3,(H,18,22)(H,19,20,23)
InChIKeyFIRRKNDSIPCEQM-UHFFFAOYSA-N
MW342.38 g/mol
LogP3.04
Rot. Bonds4

About N-(6-acetamido-1,3-benzothiazol-2-yl)-4-acetyl-1H-pyrrole-2-carboxamide

N-(6-acetamido-1,3-benzothiazol-2-yl)-4-acetyl-1H-pyrrole-2-carboxamide (PubChem CID 134036840) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-4-acetyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-4-acetyl-1H-pyrrole-2-carboxamide
PubChem CID134036840
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-4-acetyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3cc(C(C)=O)c[nH]3)sc2c1
InChIInChI=1S/C16H14N4O3S/c1-8(21)10-5-13(17-7-10)15(23)20-16-19-12-4-3-11(18-9(2)22)6-14(12)24-16/h3-7,17H,1-2H3,(H,18,22)(H,19,20,23)
InChIKeyFIRRKNDSIPCEQM-UHFFFAOYSA-N
XLogP3.04
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide
CID 952086
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
4-acetyl-N-quinolin-6-yl-1H-pyrrole-2-carboxamide
CID 60555786
N-(6-acetamido-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 4557017
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 2374848
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 134046171
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 134052955
N-[2-(2-propan-2-ylidenehydrazinyl)-1,3-benzothiazol-6-yl]acetamide
CID 50882316
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 46290994
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 43043166
3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983210
4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 18126537

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-4-acetyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-4-acetyl-1H-pyrrole-2-carboxamide (CID 134036840) is N-(6-acetamido-1,3-benzothiazol-2-yl)-4-acetyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-4-acetyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-4-acetyl-1H-pyrrole-2-carboxamide is CC(=O)Nc1ccc2nc(NC(=O)c3cc(C(C)=O)c[nH]3)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-4-acetyl-1H-pyrrole-2-carboxamide?
The InChIKey is FIRRKNDSIPCEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-8(21)10-5-13(17-7-10)15(23)20-16-19-12-4-3-11(18-9(2)22)6-14(12)24-16/h3-7,17H,1-2H3,(H,18,22)(H,19,20,23).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-4-acetyl-1H-pyrrole-2-carboxamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-acetyl-1H-pyrrole-2-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-4-acetyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 134036840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).