4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

C14H16N4OS2 — CID 146179044

IUPAC4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nncs1)c1cc(C2CC2NCC2CC2)cs1
InChIInChI=1S/C14H16N4OS2/c19-13(17-14-18-16-7-21-14)12-3-9(6-20-12)10-4-11(10)15-5-8-1-2-8/h3,6-8,10-11,15H,1-2,4-5H2,(H,17,18,19)
InChIKeyCUEGFGAXHHCAAR-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.71
Rot. Bonds6

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

4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 146179044) has the molecular formula C14H16N4OS2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID146179044
Molecular FormulaC14H16N4OS2
Molecular Weight320.44 g/mol
Exact Mass320.08
IUPAC Name4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nncs1)c1cc(C2CC2NCC2CC2)cs1
InChIInChI=1S/C14H16N4OS2/c19-13(17-14-18-16-7-21-14)12-3-9(6-20-12)10-4-11(10)15-5-8-1-2-8/h3,6-8,10-11,15H,1-2,4-5H2,(H,17,18,19)
InChIKeyCUEGFGAXHHCAAR-UHFFFAOYSA-N
XLogP2.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3,4-thiadiazol-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 4501316
4-((1S,2R)-2-(cyclobutylamino)cyclopropyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 91971954
5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-2-carboxamide
CID 118432667
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
4-[(1S,2R)-2-(cyclobutylamino)cyclopropyl]-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 118433105
N-[(2S)-3-methyl-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)butan-2-yl]thiophene-2-carboxamide
CID 29370022
5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
CID 118433069
5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 118433143
4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 118432633
5-[2-(cyclopropylmethylamino)cyclopropyl]-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
CID 118432660
5-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-3-carboxamide
CID 118432663

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 146179044) is 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is O=C(Nc1nncs1)c1cc(C2CC2NCC2CC2)cs1.
What is the InChIKey of 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is CUEGFGAXHHCAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS2/c19-13(17-14-18-16-7-21-14)12-3-9(6-20-12)10-4-11(10)15-5-8-1-2-8/h3,6-8,10-11,15H,1-2,4-5H2,(H,17,18,19).
What are the key properties of 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethylamino)cyclopropyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 146179044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).