N-[4-[4-(trifluoromethylcarbamothioylamino)thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide

C18H19F3N4OS2 — CID 174667925

IUPACN-[4-[4-(trifluoromethylcarbamothioylamino)thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide
SMILESO=C(NC1CCC(c2cc(NC(=S)NC(F)(F)F)cs2)CC1)c1ccccn1
InChIInChI=1S/C18H19F3N4OS2/c19-18(20,21)25-17(27)24-13-9-15(28-10-13)11-4-6-12(7-5-11)23-16(26)14-3-1-2-8-22-14/h1-3,8-12H,4-7H2,(H,23,26)(H2,24,25,27)
InChIKeyAIRTWPCCCIXVBE-UHFFFAOYSA-N
MW428.51 g/mol
LogP4.41
Rot. Bonds4

About N-[4-[4-(trifluoromethylcarbamothioylamino)thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide

N-[4-[4-(trifluoromethylcarbamothioylamino)thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide (PubChem CID 174667925) has the molecular formula C18H19F3N4OS2 and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[4-[4-(trifluoromethylcarbamothioylamino)thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(trifluoromethylcarbamothioylamino)thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide
PubChem CID174667925
Molecular FormulaC18H19F3N4OS2
Molecular Weight428.51 g/mol
Exact Mass428.10
IUPAC NameN-[4-[4-(trifluoromethylcarbamothioylamino)thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide
SMILESO=C(NC1CCC(c2cc(NC(=S)NC(F)(F)F)cs2)CC1)c1ccccn1
InChIInChI=1S/C18H19F3N4OS2/c19-18(20,21)25-17(27)24-13-9-15(28-10-13)11-4-6-12(7-5-11)23-16(26)14-3-1-2-8-22-14/h1-3,8-12H,4-7H2,(H,23,26)(H2,24,25,27)
InChIKeyAIRTWPCCCIXVBE-UHFFFAOYSA-N
XLogP4.41
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide
CID 174656264
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
tert-butyl N-[4-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 86277343
N-cyclopropyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 110647283
N-[1-(tert-butylcarbamoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110822407
N-cyclopropyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]sulfanylpyridine-2-carboxamide
CID 71482620
6-N-cyclopropyl-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109093842
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 91626394
N-(3-cyclopropylcyclohexyl)pyridine-2-carboxamide
CID 171511790
4-[3-[[4-chloro-3-(trifluoromethyl)phenyl]carbamothioylamino]phenoxy]-N-cyclohexylpyridine-2-carboxamide
CID 71456721
N-[(1R,3S)-3-[2-chloro-5-(trifluoromethyl)phenyl]cyclohexyl]pyridine-2-carboxamide
CID 162613904

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(trifluoromethylcarbamothioylamino)thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[4-(trifluoromethylcarbamothioylamino)thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide (CID 174667925) is N-[4-[4-(trifluoromethylcarbamothioylamino)thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[4-(trifluoromethylcarbamothioylamino)thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[4-(trifluoromethylcarbamothioylamino)thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide is O=C(NC1CCC(c2cc(NC(=S)NC(F)(F)F)cs2)CC1)c1ccccn1.
What is the InChIKey of N-[4-[4-(trifluoromethylcarbamothioylamino)thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide?
The InChIKey is AIRTWPCCCIXVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4OS2/c19-18(20,21)25-17(27)24-13-9-15(28-10-13)11-4-6-12(7-5-11)23-16(26)14-3-1-2-8-22-14/h1-3,8-12H,4-7H2,(H,23,26)(H2,24,25,27).
What are the key properties of N-[4-[4-(trifluoromethylcarbamothioylamino)thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide?
N-[4-[4-(trifluoromethylcarbamothioylamino)thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 4.41, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(trifluoromethylcarbamothioylamino)thiophen-2-yl]cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 174667925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).