N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylthiophene-3-carboxamide

C12H13N3OS2 — CID 9460401

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(C3CC3)s2)c(C)s1
InChIInChI=1S/C12H13N3OS2/c1-6-5-9(7(2)17-6)10(16)13-12-15-14-11(18-12)8-3-4-8/h5,8H,3-4H2,1-2H3,(H,13,15,16)
InChIKeyRUGAHTLUFZFFJU-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.35
Rot. Bonds3

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylthiophene-3-carboxamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylthiophene-3-carboxamide (PubChem CID 9460401) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylthiophene-3-carboxamide
PubChem CID9460401
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(C3CC3)s2)c(C)s1
InChIInChI=1S/C12H13N3OS2/c1-6-5-9(7(2)17-6)10(16)13-12-15-14-11(18-12)8-3-4-8/h5,8H,3-4H2,1-2H3,(H,13,15,16)
InChIKeyRUGAHTLUFZFFJU-UHFFFAOYSA-N
XLogP3.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-thiophenecarboxamide
CID 1245444
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 2567184
3-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 3152692
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 25162698
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 665475
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 697577
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide
CID 809020
N-[5-(Ethylthio)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
CID 871907
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
CID 1633446
4-((1S,2R)-2-(cyclobutylamino)cyclopropyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 91971954
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 118432683
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 118432893

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylthiophene-3-carboxamide (CID 9460401) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylthiophene-3-carboxamide is Cc1cc(C(=O)Nc2nnc(C3CC3)s2)c(C)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is RUGAHTLUFZFFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS2/c1-6-5-9(7(2)17-6)10(16)13-12-15-14-11(18-12)8-3-4-8/h5,8H,3-4H2,1-2H3,(H,13,15,16).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylthiophene-3-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylthiophene-3-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 9460401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).