N-[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide

C16H20N4O2S — CID 92870190

IUPACN-[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCc1nnc(C(=O)Nc2ccc(C(=O)N[C@@H](C)CC)cc2)s1
InChIInChI=1S/C16H20N4O2S/c1-4-10(3)17-14(21)11-6-8-12(9-7-11)18-15(22)16-20-19-13(5-2)23-16/h6-10H,4-5H2,1-3H3,(H,17,21)(H,18,22)/t10-/m0/s1
InChIKeyBIPDLDTZVBTFDL-JTQLQIEISA-N
MW332.43 g/mol
LogP2.88
Rot. Bonds6

About N-[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide

N-[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 92870190) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID92870190
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCc1nnc(C(=O)Nc2ccc(C(=O)N[C@@H](C)CC)cc2)s1
InChIInChI=1S/C16H20N4O2S/c1-4-10(3)17-14(21)11-6-8-12(9-7-11)18-15(22)16-20-19-13(5-2)23-16/h6-10H,4-5H2,1-3H3,(H,17,21)(H,18,22)/t10-/m0/s1
InChIKeyBIPDLDTZVBTFDL-JTQLQIEISA-N
XLogP2.88
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 92872012
5-(2-methylpropyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46327604
N-[3-(butan-2-ylcarbamoyl)phenyl]-5-(methoxymethyl)-1,3,4-thiadiazole-2-carboxamide
CID 46332367
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide
CID 46327661
5-[4-(butan-2-ylamino)-4-oxobutyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46320280
5-[4-[[(2S)-butan-2-yl]amino]-4-oxobutyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92868180
5-[[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92868083
5-[[2-(butan-2-ylamino)-2-oxoethoxy]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46319969
5-[[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]methyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92868008
methyl 4-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17201378
N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 42427383

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide (CID 92870190) is N-[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide is CCc1nnc(C(=O)Nc2ccc(C(=O)N[C@@H](C)CC)cc2)s1.
What is the InChIKey of N-[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is BIPDLDTZVBTFDL-JTQLQIEISA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-4-10(3)17-14(21)11-6-8-12(9-7-11)18-15(22)16-20-19-13(5-2)23-16/h6-10H,4-5H2,1-3H3,(H,17,21)(H,18,22)/t10-/m0/s1.
What are the key properties of N-[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide?
N-[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-butan-2-yl]carbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 92870190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).