N-[4-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide

C19H20N4O3S — CID 46327584

IUPACN-[4-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCCc1nnc(C(=O)Nc2ccc(C(=O)NCCc3ccco3)cc2)s1
InChIInChI=1S/C19H20N4O3S/c1-2-4-16-22-23-19(27-16)18(25)21-14-8-6-13(7-9-14)17(24)20-11-10-15-5-3-12-26-15/h3,5-9,12H,2,4,10-11H2,1H3,(H,20,24)(H,21,25)
InChIKeyDQKXZJAILPYXKZ-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.31
Rot. Bonds8

About N-[4-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide

N-[4-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46327584) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[4-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID46327584
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[4-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCCc1nnc(C(=O)Nc2ccc(C(=O)NCCc3ccco3)cc2)s1
InChIInChI=1S/C19H20N4O3S/c1-2-4-16-22-23-19(27-16)18(25)21-14-8-6-13(7-9-14)17(24)20-11-10-15-5-3-12-26-15/h3,5-9,12H,2,4,10-11H2,1H3,(H,20,24)(H,21,25)
InChIKeyDQKXZJAILPYXKZ-UHFFFAOYSA-N
XLogP3.31
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-[2-(furan-2-yl)ethyl]-2-N-(4-methylphenyl)-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353927
N-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 46332334
5-[4-(furan-2-ylmethylamino)-4-oxobutyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46320147
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide
CID 46327661
N-[2-(furan-2-yl)ethyl]-4-(pyrimidin-2-ylamino)benzamide
CID 71708375
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680
5-propyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46327557
N-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide
CID 46327670
2-(furan-2-yl)-5-methyl-N-[4-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55893940
4-N-[4-(diethylamino)phenyl]-1-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109046633
N-[4-[[(2S)-1-(furan-2-yl)propan-2-yl]carbamoyl]phenyl]-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 92872093
N-[2-(furan-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18126076

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[4-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide (CID 46327584) is N-[4-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[4-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[4-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide is CCCc1nnc(C(=O)Nc2ccc(C(=O)NCCc3ccco3)cc2)s1.
What is the InChIKey of N-[4-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is DQKXZJAILPYXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-2-4-16-22-23-19(27-16)18(25)21-14-8-6-13(7-9-14)17(24)20-11-10-15-5-3-12-26-15/h3,5-9,12H,2,4,10-11H2,1H3,(H,20,24)(H,21,25).
What are the key properties of N-[4-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide?
N-[4-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46327584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).