N-cyclopropyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide

C20H18FN5O2S — CID 43815608

IUPACN-cyclopropyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C(c1ccccn1)N(C(=O)c1csnn1)C1CC1
InChIInChI=1S/C20H18FN5O2S/c21-14-6-4-13(5-7-14)11-23-19(27)18(16-3-1-2-10-22-16)26(15-8-9-15)20(28)17-12-29-25-24-17/h1-7,10,12,15,18H,8-9,11H2,(H,23,27)
InChIKeyFMNHOANAIVQRFT-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.73
Rot. Bonds7

About N-cyclopropyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide

N-cyclopropyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide (PubChem CID 43815608) has the molecular formula C20H18FN5O2S and a molecular weight of 411.46 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide
PubChem CID43815608
Molecular FormulaC20H18FN5O2S
Molecular Weight411.46 g/mol
Exact Mass411.12
IUPAC NameN-cyclopropyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C(c1ccccn1)N(C(=O)c1csnn1)C1CC1
InChIInChI=1S/C20H18FN5O2S/c21-14-6-4-13(5-7-14)11-23-19(27)18(16-3-1-2-10-22-16)26(15-8-9-15)20(28)17-12-29-25-24-17/h1-7,10,12,15,18H,8-9,11H2,(H,23,27)
InChIKeyFMNHOANAIVQRFT-UHFFFAOYSA-N
XLogP2.73
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-N-[2-[(4-fluorophenyl)methylamino]-1-(2-methoxyphenyl)-2-oxoethyl]thiadiazole-4-carboxamide
CID 3222401
N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 51552912
N-cyclohexyl-N-[2-oxo-2-(2-phenylethylamino)-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide
CID 3222462
N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-cyclopentylthiadiazole-4-carboxamide
CID 3222430
N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 51552663
N-[(1S)-2-(benzylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 51552664
N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 7435010
N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 3222363
N-[2-(tert-butylamino)-2-oxo-1-pyridin-2-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 3798285
N-[(1S)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-3-ylethyl]-N-phenylthiadiazole-4-carboxamide
CID 51552633
N-cyclopropyl-N-[(1R)-1-(4-methylphenyl)-2-oxo-2-(2-phenylethylamino)ethyl]thiadiazole-4-carboxamide
CID 7434990
N-[(1R)-2-(benzylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-fluorophenyl)thiadiazole-4-carboxamide
CID 51508354

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide (CID 43815608) is N-cyclopropyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide is O=C(NCc1ccc(F)cc1)C(c1ccccn1)N(C(=O)c1csnn1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide?
The InChIKey is FMNHOANAIVQRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2S/c21-14-6-4-13(5-7-14)11-23-19(27)18(16-3-1-2-10-22-16)26(15-8-9-15)20(28)17-12-29-25-24-17/h1-7,10,12,15,18H,8-9,11H2,(H,23,27).
What are the key properties of N-cyclopropyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide?
N-cyclopropyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 43815608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).