N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)furan-2-carboxamide

C12H9ClN4O2S — CID 91680643

IUPACN-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
SMILESNNc1nc2c(Cl)cc(NC(=O)c3ccco3)cc2s1
InChIInChI=1S/C12H9ClN4O2S/c13-7-4-6(15-11(18)8-2-1-3-19-8)5-9-10(7)16-12(17-14)20-9/h1-5H,14H2,(H,15,18)(H,16,17)
InChIKeyACMOJRTYSYUUGZ-UHFFFAOYSA-N
MW308.75 g/mol
LogP3.08
Rot. Bonds3

About N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)furan-2-carboxamide

N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)furan-2-carboxamide (PubChem CID 91680643) has the molecular formula C12H9ClN4O2S and a molecular weight of 308.75 g/mol. Its IUPAC name is N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
PubChem CID91680643
Molecular FormulaC12H9ClN4O2S
Molecular Weight308.75 g/mol
Exact Mass308.01
IUPAC NameN-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
SMILESNNc1nc2c(Cl)cc(NC(=O)c3ccco3)cc2s1
InChIInChI=1S/C12H9ClN4O2S/c13-7-4-6(15-11(18)8-2-1-3-19-8)5-9-10(7)16-12(17-14)20-9/h1-5H,14H2,(H,15,18)(H,16,17)
InChIKeyACMOJRTYSYUUGZ-UHFFFAOYSA-N
XLogP3.08
TPSA93.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 91680436
5-(2,5-dichlorophenyl)-N-[2-(furan-2-carbonylamino)-1,3-benzothiazol-6-yl]furan-2-carboxamide
CID 17127399
N-(5-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 16764509
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 43548233
2-chloro-N-(2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide
CID 50882049
N-[6-[(4-iodobenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127294
N-[6-[(2-methoxybenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127300
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 2161628
N-[6-[(2,4-dichlorobenzoyl)carbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127453
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-[6-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127421
N-[6-(naphthalene-1-carbonylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127363

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)furan-2-carboxamide?
The IUPAC name of N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)furan-2-carboxamide (CID 91680643) is N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)furan-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)furan-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)furan-2-carboxamide is NNc1nc2c(Cl)cc(NC(=O)c3ccco3)cc2s1.
What is the InChIKey of N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)furan-2-carboxamide?
The InChIKey is ACMOJRTYSYUUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O2S/c13-7-4-6(15-11(18)8-2-1-3-19-8)5-9-10(7)16-12(17-14)20-9/h1-5H,14H2,(H,15,18)(H,16,17).
What are the key properties of N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)furan-2-carboxamide?
N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)furan-2-carboxamide has a molecular weight of 308.75 g/mol, XLogP of 3.08, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)furan-2-carboxamide is sourced from PubChem (CID 91680643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).