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

C15H16N4O2S2 — CID 78835864

IUPAC5-(cyclopropanecarbonylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C15H16N4O2S2/c1-7-6-10(16-12(20)8-2-3-8)22-11(7)13(21)17-15-19-18-14(23-15)9-4-5-9/h6,8-9H,2-5H2,1H3,(H,16,20)(H,17,19,21)
InChIKeyIMHRRHZJJYKKJU-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.39
Rot. Bonds5

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

5-(cyclopropanecarbonylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methylthiophene-2-carboxamide (PubChem CID 78835864) has the molecular formula C15H16N4O2S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methylthiophene-2-carboxamide
PubChem CID78835864
Molecular FormulaC15H16N4O2S2
Molecular Weight348.45 g/mol
Exact Mass348.07
IUPAC Name5-(cyclopropanecarbonylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C15H16N4O2S2/c1-7-6-10(16-12(20)8-2-3-8)22-11(7)13(21)17-15-19-18-14(23-15)9-4-5-9/h6,8-9H,2-5H2,1H3,(H,16,20)(H,17,19,21)
InChIKeyIMHRRHZJJYKKJU-UHFFFAOYSA-N
XLogP3.39
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide
CID 41266546
5-(cyclopropanecarbonylamino)-N-(1-hydroxypropan-2-yl)-3-methylthiophene-2-carboxamide
CID 110887462
5-(cyclopropanecarbonylamino)-N-(2,5-dimethylphenyl)-3-methylthiophene-2-carboxamide
CID 41356570
5-(cyclopropanecarbonylamino)-N-(2,4-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 24605307
5-(cyclopropanecarbonylamino)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide
CID 78835001
5-(cyclopropanecarbonylamino)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]thiophene-2-carboxamide
CID 24666464
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,3-dimethylbenzamide
CID 8503017
5-(cyclopropanecarbonylamino)-N-(1-hydroxybutan-2-yl)-3-methylthiophene-2-carboxamide
CID 110886322
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide
CID 24647540
5-(cyclopropanecarbonylamino)-3-methyl-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 38260168
N-[5-(4-ethylpiperazine-1-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide
CID 78833699
N-[5-(1,3,3a,4,7,7a-hexahydroisoindole-2-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide
CID 75373415

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methylthiophene-2-carboxamide (CID 78835864) is 5-(cyclopropanecarbonylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methylthiophene-2-carboxamide is Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methylthiophene-2-carboxamide?
The InChIKey is IMHRRHZJJYKKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S2/c1-7-6-10(16-12(20)8-2-3-8)22-11(7)13(21)17-15-19-18-14(23-15)9-4-5-9/h6,8-9H,2-5H2,1H3,(H,16,20)(H,17,19,21).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methylthiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methylthiophene-2-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 78835864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).