N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]thiophene-2-carboxamide

C17H10FN3OS3 — CID 7543484

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(/N=C\c1cccs1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C17H10FN3OS3/c18-11-5-6-13-15(9-11)25-17(20-13)21(16(22)14-4-2-8-24-14)19-10-12-3-1-7-23-12/h1-10H/b19-10-
InChIKeyKSXVGDNANQUNHV-GRSHGNNSSA-N
MW387.49 g/mol
LogP5.24
Rot. Bonds4

About N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]thiophene-2-carboxamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]thiophene-2-carboxamide (PubChem CID 7543484) has the molecular formula C17H10FN3OS3 and a molecular weight of 387.49 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]thiophene-2-carboxamide
PubChem CID7543484
Molecular FormulaC17H10FN3OS3
Molecular Weight387.49 g/mol
Exact Mass387.00
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(/N=C\c1cccs1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C17H10FN3OS3/c18-11-5-6-13-15(9-11)25-17(20-13)21(16(22)14-4-2-8-24-14)19-10-12-3-1-7-23-12/h1-10H/b19-10-
InChIKeyKSXVGDNANQUNHV-GRSHGNNSSA-N
XLogP5.24
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.49
LogP ≤ 55.24
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

4-(dibutylsulfamoyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 44943210
3-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 44941908
4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 44943217
4-[benzyl(ethyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 44943213
(E)-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]prop-2-enamide
CID 44943160
N-[(E)-benzylideneamino]-5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 44942714
methyl 4-[(6-methoxy-1,3-benzothiazol-2-yl)-[(E)-thiophen-2-ylmethylideneamino]carbamoyl]benzoate
CID 44945612
N-(6-methyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxy-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 44944413
N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7507525
(E)-N-(6-methyl-1,3-benzothiazol-2-yl)-3-thiophen-2-yl-N-[(Z)-thiophen-2-ylmethylideneamino]prop-2-enamide
CID 8609233
N-(1,3-benzothiazol-2-yl)-3-methoxy-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 8608881
3,4,5-trimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-[(E)-thiophen-2-ylmethylideneamino]benzamide
CID 44945578

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]thiophene-2-carboxamide (CID 7543484) is N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]thiophene-2-carboxamide is O=C(c1cccs1)N(/N=C\c1cccs1)c1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]thiophene-2-carboxamide?
The InChIKey is KSXVGDNANQUNHV-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H10FN3OS3/c18-11-5-6-13-15(9-11)25-17(20-13)21(16(22)14-4-2-8-24-14)19-10-12-3-1-7-23-12/h1-10H/b19-10-.
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]thiophene-2-carboxamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]thiophene-2-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-[(Z)-thiophen-2-ylmethylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 7543484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).