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

C12H15N3OS2 — CID 795327

IUPACN-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESCC(C)(C)Cc1nnc(NC(=O)c2cccs2)s1
InChIInChI=1S/C12H15N3OS2/c1-12(2,3)7-9-14-15-11(18-9)13-10(16)8-5-4-6-17-8/h4-6H,7H2,1-3H3,(H,13,15,16)
InChIKeyLFNREEMJNQLVOU-UHFFFAOYSA-N
MW281.41 g/mol
LogP3.44
Rot. Bonds3

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

N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 795327) has the molecular formula C12H15N3OS2 and a molecular weight of 281.41 g/mol. Its IUPAC name is N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
PubChem CID795327
Molecular FormulaC12H15N3OS2
Molecular Weight281.41 g/mol
Exact Mass281.07
IUPAC NameN-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESCC(C)(C)Cc1nnc(NC(=O)c2cccs2)s1
InChIInChI=1S/C12H15N3OS2/c1-12(2,3)7-9-14-15-11(18-9)13-10(16)8-5-4-6-17-8/h4-6H,7H2,1-3H3,(H,13,15,16)
InChIKeyLFNREEMJNQLVOU-UHFFFAOYSA-N
XLogP3.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 769140
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 1080987
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-iodobenzamide
CID 1213815
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 777660
4-benzamido-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17153333
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-fluorobenzamide
CID 769224
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-ethylsulfanylbenzamide
CID 1230832
N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 51199300
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 769200
N-[5-[2-[(3-bromobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 17193145
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 3929087
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 4191915

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (CID 795327) is N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is CC(C)(C)Cc1nnc(NC(=O)c2cccs2)s1.
What is the InChIKey of N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is LFNREEMJNQLVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS2/c1-12(2,3)7-9-14-15-11(18-9)13-10(16)8-5-4-6-17-8/h4-6H,7H2,1-3H3,(H,13,15,16).
What are the key properties of N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 281.41 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 795327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).