N-ethyl-N-(3-fluorophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

C14H17FN4OS — CID 80617717

IUPACN-ethyl-N-(3-fluorophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(CC)c2cccc(F)c2)s1
InChIInChI=1S/C14H17FN4OS/c1-3-8-16-14-18-17-12(21-14)13(20)19(4-2)11-7-5-6-10(15)9-11/h5-7,9H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyUWQLESGFKAHCNM-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.17
Rot. Bonds6

About N-ethyl-N-(3-fluorophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide

N-ethyl-N-(3-fluorophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617717) has the molecular formula C14H17FN4OS and a molecular weight of 308.38 g/mol. Its IUPAC name is N-ethyl-N-(3-fluorophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-fluorophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617717
Molecular FormulaC14H17FN4OS
Molecular Weight308.38 g/mol
Exact Mass308.11
IUPAC NameN-ethyl-N-(3-fluorophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNc1nnc(C(=O)N(CC)c2cccc(F)c2)s1
InChIInChI=1S/C14H17FN4OS/c1-3-8-16-14-18-17-12(21-14)13(20)19(4-2)11-7-5-6-10(15)9-11/h5-7,9H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyUWQLESGFKAHCNM-UHFFFAOYSA-N
XLogP3.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619362
N-methyl-5-(propylamino)-N-pyridin-4-yl-1,3,4-thiadiazole-2-carboxamide
CID 106937223
2-amino-N-ethyl-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55115865
N-(4-methoxyphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618566
6-amino-N-ethyl-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 62238970
N-(2,4-dimethylphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618719
N-[2-(3-methylphenyl)ethyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619618
3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706763
N-methyl-5-(propylamino)-N-(pyridin-4-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80614863
5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607718
N-ethyl-N-(3-fluorophenyl)-1-benzothiophene-3-carboxamide
CID 112817546
N-(2-methoxyphenyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618395

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-fluorophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-ethyl-N-(3-fluorophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80617717) is N-ethyl-N-(3-fluorophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-fluorophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-ethyl-N-(3-fluorophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is CCCNc1nnc(C(=O)N(CC)c2cccc(F)c2)s1.
What is the InChIKey of N-ethyl-N-(3-fluorophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is UWQLESGFKAHCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4OS/c1-3-8-16-14-18-17-12(21-14)13(20)19(4-2)11-7-5-6-10(15)9-11/h5-7,9H,3-4,8H2,1-2H3,(H,16,18).
What are the key properties of N-ethyl-N-(3-fluorophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide?
N-ethyl-N-(3-fluorophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-fluorophenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).