N-(1,3-benzothiazol-2-yl)-5-chloro-N-[(Z)-furan-2-ylmethylideneamino]thiophene-2-carboxamide

C17H10ClN3O2S2 — CID 7543282

IUPACN-(1,3-benzothiazol-2-yl)-5-chloro-N-[(Z)-furan-2-ylmethylideneamino]thiophene-2-carboxamide
SMILESO=C(c1ccc(Cl)s1)N(/N=C\c1ccco1)c1nc2ccccc2s1
InChIInChI=1S/C17H10ClN3O2S2/c18-15-8-7-14(24-15)16(22)21(19-10-11-4-3-9-23-11)17-20-12-5-1-2-6-13(12)25-17/h1-10H/b19-10-
InChIKeyFZNRGOYISLWZFG-GRSHGNNSSA-N
MW387.87 g/mol
LogP5.29
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-5-chloro-N-[(Z)-furan-2-ylmethylideneamino]thiophene-2-carboxamide

N-(1,3-benzothiazol-2-yl)-5-chloro-N-[(Z)-furan-2-ylmethylideneamino]thiophene-2-carboxamide (PubChem CID 7543282) has the molecular formula C17H10ClN3O2S2 and a molecular weight of 387.87 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-5-chloro-N-[(Z)-furan-2-ylmethylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-5-chloro-N-[(Z)-furan-2-ylmethylideneamino]thiophene-2-carboxamide
PubChem CID7543282
Molecular FormulaC17H10ClN3O2S2
Molecular Weight387.87 g/mol
Exact Mass386.99
IUPAC NameN-(1,3-benzothiazol-2-yl)-5-chloro-N-[(Z)-furan-2-ylmethylideneamino]thiophene-2-carboxamide
SMILESO=C(c1ccc(Cl)s1)N(/N=C\c1ccco1)c1nc2ccccc2s1
InChIInChI=1S/C17H10ClN3O2S2/c18-15-8-7-14(24-15)16(22)21(19-10-11-4-3-9-23-11)17-20-12-5-1-2-6-13(12)25-17/h1-10H/b19-10-
InChIKeyFZNRGOYISLWZFG-GRSHGNNSSA-N
XLogP5.29
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(Z)-furan-2-ylmethylideneamino]thiophene-2-carboxamide
CID 7543466
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(Z)-furan-2-ylmethylideneamino]benzamide
CID 7543438
N-[(E)-benzylideneamino]-5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 44942714
4-chloro-N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7543643
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 44941859
N-[(Z)-furan-2-ylmethylideneamino]-2,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 8609208
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-3-(trifluoromethyl)benzamide
CID 44943088
(E)-3-(2-chlorophenyl)-N-[(E)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)prop-2-enamide
CID 44945527
N-[(Z)-furan-2-ylmethylideneamino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 7543637
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-3,5-dinitrobenzamide
CID 44943129
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-3,5-dimethoxybenzamide
CID 44943073
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-2-oxochromene-3-carboxamide
CID 44941845

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-5-chloro-N-[(Z)-furan-2-ylmethylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-5-chloro-N-[(Z)-furan-2-ylmethylideneamino]thiophene-2-carboxamide (CID 7543282) is N-(1,3-benzothiazol-2-yl)-5-chloro-N-[(Z)-furan-2-ylmethylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-5-chloro-N-[(Z)-furan-2-ylmethylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-5-chloro-N-[(Z)-furan-2-ylmethylideneamino]thiophene-2-carboxamide is O=C(c1ccc(Cl)s1)N(/N=C\c1ccco1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-5-chloro-N-[(Z)-furan-2-ylmethylideneamino]thiophene-2-carboxamide?
The InChIKey is FZNRGOYISLWZFG-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H10ClN3O2S2/c18-15-8-7-14(24-15)16(22)21(19-10-11-4-3-9-23-11)17-20-12-5-1-2-6-13(12)25-17/h1-10H/b19-10-.
What are the key properties of N-(1,3-benzothiazol-2-yl)-5-chloro-N-[(Z)-furan-2-ylmethylideneamino]thiophene-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-5-chloro-N-[(Z)-furan-2-ylmethylideneamino]thiophene-2-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-5-chloro-N-[(Z)-furan-2-ylmethylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 7543282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).