N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide

C15H11F3N4O3S — CID 2965054

IUPACN-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O)c1cccs1
InChIInChI=1S/C15H11F3N4O3S/c16-15(17,18)14(20-11(23)10-4-2-6-26-10)12(24)22(13(25)21-14)8-9-3-1-5-19-7-9/h1-7H,8H2,(H,20,23)(H,21,25)
InChIKeyYDOJTXAAUPLPGZ-UHFFFAOYSA-N
MW384.34 g/mol
LogP1.88
Rot. Bonds4

About N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide

N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide (PubChem CID 2965054) has the molecular formula C15H11F3N4O3S and a molecular weight of 384.34 g/mol. Its IUPAC name is N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
PubChem CID2965054
Molecular FormulaC15H11F3N4O3S
Molecular Weight384.34 g/mol
Exact Mass384.05
IUPAC NameN-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O)c1cccs1
InChIInChI=1S/C15H11F3N4O3S/c16-15(17,18)14(20-11(23)10-4-2-6-26-10)12(24)22(13(25)21-14)8-9-3-1-5-19-7-9/h1-7H,8H2,(H,20,23)(H,21,25)
InChIKeyYDOJTXAAUPLPGZ-UHFFFAOYSA-N
XLogP1.88
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 573874
N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18107042
N-[1-[(3-fluoroanilino)carbonyl]-2-(3-pyridinyl)vinyl]-2-thiophenecarboxamide
CID 5370237
5-methyl-N-(3-pyridinylmethyl)-3-thiophenecarboxamide
CID 1246960
N-[2-[(5E)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]thiophene-2-carboxamide
CID 2079821
then-2-oyl-Gly-DL-N(Ph(3-F))Gly(pyrid-3-yl)-NHcPent
CID 3211133
then-2-oyl-Gly-DL-N(Ph(4-F))Gly(pyrid-3-yl)-NHcPent
CID 3211141
N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 17409439
N-[5-oxo-6-(trifluoromethyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl]nicotinamide
CID 5039769
N-[2-[butyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]-2-thiophenecarboxamide
CID 3211116
Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-pyridin-3-yl-methyl)-phenyl-carbamoyl]-methyl}-amide
CID 3211145
then-2-oyl-Gly-DL-N(isoamyl)Gly(pyrid-3-yl)-NHcHex
CID 3211272

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide (CID 2965054) is N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide is O=C(NC1(C(F)(F)F)NC(=O)N(Cc2cccnc2)C1=O)c1cccs1.
What is the InChIKey of N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
The InChIKey is YDOJTXAAUPLPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O3S/c16-15(17,18)14(20-11(23)10-4-2-6-26-10)12(24)22(13(25)21-14)8-9-3-1-5-19-7-9/h1-7H,8H2,(H,20,23)(H,21,25).
What are the key properties of N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide?
N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide has a molecular weight of 384.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 2965054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).