N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide

C18H25N5O2S — CID 46327661

IUPACN-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCc1nnc(C(=O)Nc2ccc(C(=O)NCCN(CC)CC)cc2)s1
InChIInChI=1S/C18H25N5O2S/c1-4-15-21-22-18(26-15)17(25)20-14-9-7-13(8-10-14)16(24)19-11-12-23(5-2)6-3/h7-10H,4-6,11-12H2,1-3H3,(H,19,24)(H,20,25)
InChIKeyOHJYSDQPKSGGFQ-UHFFFAOYSA-N
MW375.50 g/mol
LogP2.42
Rot. Bonds9

About N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide

N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46327661) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID46327661
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC NameN-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCc1nnc(C(=O)Nc2ccc(C(=O)NCCN(CC)CC)cc2)s1
InChIInChI=1S/C18H25N5O2S/c1-4-15-21-22-18(26-15)17(25)20-14-9-7-13(8-10-14)16(24)19-11-12-23(5-2)6-3/h7-10H,4-6,11-12H2,1-3H3,(H,19,24)(H,20,25)
InChIKeyOHJYSDQPKSGGFQ-UHFFFAOYSA-N
XLogP2.42
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(cyclohexen-1-yl)ethylcarbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide
CID 46327670
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
N-[2-(diethylamino)ethyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 4677770
5-ethyl-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 92870226
3-bromo-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-methylbenzamide
CID 17229756
5-[[ethyl(2-hydroxyethyl)amino]methyl]-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 37099139
4-[(2-amino-2-methylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827825
N-[4-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide
CID 46327584
2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide
CID 12500967
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4782277
4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827819

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide (CID 46327661) is N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide is CCc1nnc(C(=O)Nc2ccc(C(=O)NCCN(CC)CC)cc2)s1.
What is the InChIKey of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is OHJYSDQPKSGGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-4-15-21-22-18(26-15)17(25)20-14-9-7-13(8-10-14)16(24)19-11-12-23(5-2)6-3/h7-10H,4-6,11-12H2,1-3H3,(H,19,24)(H,20,25).
What are the key properties of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide?
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-ethyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46327661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).