N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiadiazole-5-carboxamide

C13H13FN4O2S — CID 95136790

IUPACN-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiadiazole-5-carboxamide
SMILESNC(=O)[C@@H](CNC(=O)c1cnns1)Cc1ccc(F)cc1
InChIInChI=1S/C13H13FN4O2S/c14-10-3-1-8(2-4-10)5-9(12(15)19)6-16-13(20)11-7-17-18-21-11/h1-4,7,9H,5-6H2,(H2,15,19)(H,16,20)/t9-/m1/s1
InChIKeyVGXNPORHGIXNIP-SECBINFHSA-N
MW308.34 g/mol
LogP0.75
Rot. Bonds6

About N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiadiazole-5-carboxamide

N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiadiazole-5-carboxamide (PubChem CID 95136790) has the molecular formula C13H13FN4O2S and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiadiazole-5-carboxamide
PubChem CID95136790
Molecular FormulaC13H13FN4O2S
Molecular Weight308.34 g/mol
Exact Mass308.07
IUPAC NameN-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiadiazole-5-carboxamide
SMILESNC(=O)[C@@H](CNC(=O)c1cnns1)Cc1ccc(F)cc1
InChIInChI=1S/C13H13FN4O2S/c14-10-3-1-8(2-4-10)5-9(12(15)19)6-16-13(20)11-7-17-18-21-11/h1-4,7,9H,5-6H2,(H2,15,19)(H,16,20)/t9-/m1/s1
InChIKeyVGXNPORHGIXNIP-SECBINFHSA-N
XLogP0.75
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-ethylthiadiazole-5-carboxamide
CID 56819872
2-N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiophene-2,4-dicarboxamide
CID 56800017
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 95590873
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]pyrazine-2-carboxamide
CID 95583445
N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-5-ethylfuran-2-carboxamide
CID 95583298
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 47076397
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-chloro-1,3-thiazole-5-carboxamide
CID 56800018
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-chloro-1,3-thiazole-5-carboxamide
CID 95590890
N-[(2S)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-1H-indazole-3-carboxamide
CID 95583455
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-4-bromo-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56562693
3-(4-fluorophenyl)-2-[[[2-(2-fluorophenyl)acetyl]amino]methyl]propanamide
CID 56819888
N-[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]-2,4-dichloro-5-fluorobenzamide
CID 60587400

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiadiazole-5-carboxamide?
The IUPAC name of N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiadiazole-5-carboxamide (CID 95136790) is N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiadiazole-5-carboxamide is NC(=O)[C@@H](CNC(=O)c1cnns1)Cc1ccc(F)cc1.
What is the InChIKey of N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiadiazole-5-carboxamide?
The InChIKey is VGXNPORHGIXNIP-SECBINFHSA-N. The full InChI is InChI=1S/C13H13FN4O2S/c14-10-3-1-8(2-4-10)5-9(12(15)19)6-16-13(20)11-7-17-18-21-11/h1-4,7,9H,5-6H2,(H2,15,19)(H,16,20)/t9-/m1/s1.
What are the key properties of N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiadiazole-5-carboxamide?
N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiadiazole-5-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 95136790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).