N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide

C19H12FN3OS2 — CID 1421918

IUPACN-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide
SMILESO=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1cccc2ccccc12
InChIInChI=1S/C19H12FN3OS2/c20-12-8-9-15-16(10-12)26-19(21-15)23-18(25)22-17(24)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H2,21,22,23,24,25)
InChIKeyYRVKXCXUKVBYAP-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.72
Rot. Bonds2

About N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide

N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide (PubChem CID 1421918) has the molecular formula C19H12FN3OS2 and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide
PubChem CID1421918
Molecular FormulaC19H12FN3OS2
Molecular Weight381.46 g/mol
Exact Mass381.04
IUPAC NameN-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide
SMILESO=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1cccc2ccccc12
InChIInChI=1S/C19H12FN3OS2/c20-12-8-9-15-16(10-12)26-19(21-15)23-18(25)22-17(24)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H2,21,22,23,24,25)
InChIKeyYRVKXCXUKVBYAP-UHFFFAOYSA-N
XLogP4.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzothiazol-2-ylcarbamothioyl)naphthalene-1-carboxamide
CID 3442954
2,4-dichloro-N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 1391844
N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]furan-2-carboxamide
CID 953520
2-chloro-N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]-4-methylbenzamide
CID 1396408
N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 2033808
(E)-N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 953431
N-(2-hydrazinyl-1,3-benzothiazol-6-yl)naphthalene-1-carboxamide
CID 91680673
2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7578610
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 3252476
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 4502392
2-methoxy-N-[(6-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 5213183
2-(1,2-benzoxazol-3-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 35533618

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide?
The IUPAC name of N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide (CID 1421918) is N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide is O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1cccc2ccccc12.
What is the InChIKey of N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide?
The InChIKey is YRVKXCXUKVBYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3OS2/c20-12-8-9-15-16(10-12)26-19(21-15)23-18(25)22-17(24)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H2,21,22,23,24,25).
What are the key properties of N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide?
N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 4.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide is sourced from PubChem (CID 1421918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).