N-[5-[(3R)-heptan-3-yl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide

C14H19N3OS2 — CID 7329996

IUPACN-[5-[(3R)-heptan-3-yl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESCCCC[C@@H](CC)c1nnc(NC(=O)c2cccs2)s1
InChIInChI=1S/C14H19N3OS2/c1-3-5-7-10(4-2)13-16-17-14(20-13)15-12(18)11-8-6-9-19-11/h6,8-10H,3-5,7H2,1-2H3,(H,15,17,18)/t10-/m1/s1
InChIKeyWEKAPFWWYGJNGM-SNVBAGLBSA-N
MW309.46 g/mol
LogP4.54
Rot. Bonds7

About N-[5-[(3R)-heptan-3-yl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide

N-[5-[(3R)-heptan-3-yl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 7329996) has the molecular formula C14H19N3OS2 and a molecular weight of 309.46 g/mol. Its IUPAC name is N-[5-[(3R)-heptan-3-yl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3R)-heptan-3-yl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
PubChem CID7329996
Molecular FormulaC14H19N3OS2
Molecular Weight309.46 g/mol
Exact Mass309.10
IUPAC NameN-[5-[(3R)-heptan-3-yl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESCCCC[C@@H](CC)c1nnc(NC(=O)c2cccs2)s1
InChIInChI=1S/C14H19N3OS2/c1-3-5-7-10(4-2)13-16-17-14(20-13)15-12(18)11-8-6-9-19-11/h6,8-10H,3-5,7H2,1-2H3,(H,15,17,18)/t10-/m1/s1
InChIKeyWEKAPFWWYGJNGM-SNVBAGLBSA-N
XLogP4.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-heptan-3-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 3110211
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 1086879
N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24668236
N-[1-oxo-1-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]thiophene-2-carboxamide
CID 51299441
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 795327
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 1080987
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675853
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 35865479
4-fluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1086860
4-bromo-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 2675832
4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 46542151
N-[1-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47076935

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3R)-heptan-3-yl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[(3R)-heptan-3-yl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (CID 7329996) is N-[5-[(3R)-heptan-3-yl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(3R)-heptan-3-yl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[(3R)-heptan-3-yl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is CCCC[C@@H](CC)c1nnc(NC(=O)c2cccs2)s1.
What is the InChIKey of N-[5-[(3R)-heptan-3-yl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is WEKAPFWWYGJNGM-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N3OS2/c1-3-5-7-10(4-2)13-16-17-14(20-13)15-12(18)11-8-6-9-19-11/h6,8-10H,3-5,7H2,1-2H3,(H,15,17,18)/t10-/m1/s1.
What are the key properties of N-[5-[(3R)-heptan-3-yl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
N-[5-[(3R)-heptan-3-yl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 309.46 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3R)-heptan-3-yl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 7329996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).