N-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]naphthalene-1-carboxamide

C19H11F3N4OS — CID 151019291

IUPACN-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]naphthalene-1-carboxamide
SMILESN#Cc1ncc(NC(=S)NC(=O)c2cccc3ccccc23)cc1C(F)(F)F
InChIInChI=1S/C19H11F3N4OS/c20-19(21,22)15-8-12(10-24-16(15)9-23)25-18(28)26-17(27)14-7-3-5-11-4-1-2-6-13(11)14/h1-8,10H,(H2,25,26,27,28)
InChIKeyLXSTXBFAQFUMFX-UHFFFAOYSA-N
MW400.39 g/mol
LogP4.25
Rot. Bonds2

About N-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]naphthalene-1-carboxamide

N-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]naphthalene-1-carboxamide (PubChem CID 151019291) has the molecular formula C19H11F3N4OS and a molecular weight of 400.39 g/mol. Its IUPAC name is N-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]naphthalene-1-carboxamide
PubChem CID151019291
Molecular FormulaC19H11F3N4OS
Molecular Weight400.39 g/mol
Exact Mass400.06
IUPAC NameN-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]naphthalene-1-carboxamide
SMILESN#Cc1ncc(NC(=S)NC(=O)c2cccc3ccccc23)cc1C(F)(F)F
InChIInChI=1S/C19H11F3N4OS/c20-19(21,22)15-8-12(10-24-16(15)9-23)25-18(28)26-17(27)14-7-3-5-11-4-1-2-6-13(11)14/h1-8,10H,(H2,25,26,27,28)
InChIKeyLXSTXBFAQFUMFX-UHFFFAOYSA-N
XLogP4.25
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 54.25
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-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]-4-methoxybenzamide
CID 172821541
N-[(3-bromophenyl)carbamothioyl]naphthalene-1-carboxamide
CID 4197624
N-[(3,4-dimethylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 882008
N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 22775388
N-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 1342378
N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]naphthalene-1-carboxamide
CID 1421918
N-[2-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
CID 1278699
N-[4-(naphthalene-1-carbonylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide
CID 17109692
N-[[4-(1,3-benzothiazol-2-ylmethyl)phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 54859148
N-[(4-chloro-3-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide
CID 1342144
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(phosphanylamino)pentanamide
CID 137445272
2-(2-methoxyethoxy)-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 17197845

Frequently Asked Questions

What is the IUPAC name of N-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]naphthalene-1-carboxamide?
The IUPAC name of N-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]naphthalene-1-carboxamide (CID 151019291) is N-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]naphthalene-1-carboxamide is N#Cc1ncc(NC(=S)NC(=O)c2cccc3ccccc23)cc1C(F)(F)F.
What is the InChIKey of N-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]naphthalene-1-carboxamide?
The InChIKey is LXSTXBFAQFUMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N4OS/c20-19(21,22)15-8-12(10-24-16(15)9-23)25-18(28)26-17(27)14-7-3-5-11-4-1-2-6-13(11)14/h1-8,10H,(H2,25,26,27,28).
What are the key properties of N-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]naphthalene-1-carboxamide?
N-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]naphthalene-1-carboxamide has a molecular weight of 400.39 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]naphthalene-1-carboxamide is sourced from PubChem (CID 151019291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).