N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide

C17H18N4OS2 — CID 33433200

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESO=C(Nc1nnc(C2CCCCC2)s1)c1sccc1-n1cccc1
InChIInChI=1S/C17H18N4OS2/c22-15(14-13(8-11-23-14)21-9-4-5-10-21)18-17-20-19-16(24-17)12-6-2-1-3-7-12/h4-5,8-12H,1-3,6-7H2,(H,18,20,22)
InChIKeyCTXHOOKQFKTYLD-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.69
Rot. Bonds4

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 33433200) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID33433200
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESO=C(Nc1nnc(C2CCCCC2)s1)c1sccc1-n1cccc1
InChIInChI=1S/C17H18N4OS2/c22-15(14-13(8-11-23-14)21-9-4-5-10-21)18-17-20-19-16(24-17)12-6-2-1-3-7-12/h4-5,8-12H,1-3,6-7H2,(H,18,20,22)
InChIKeyCTXHOOKQFKTYLD-UHFFFAOYSA-N
XLogP4.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-pyrrol-1-ylthiophene-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-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
CID 1035124
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 803244
N-(2-oxoazepan-3-yl)-3-pyrrol-1-ylthiophene-2-carboxamide
CID 51089154
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17398394
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 27297734
N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 3694864
4,5-dibromo-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 19205259
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 45267483
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1180198
5-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43474607
1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methylphenyl)urea
CID 35524324
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 27297044

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide (CID 33433200) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide is O=C(Nc1nnc(C2CCCCC2)s1)c1sccc1-n1cccc1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is CTXHOOKQFKTYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS2/c22-15(14-13(8-11-23-14)21-9-4-5-10-21)18-17-20-19-16(24-17)12-6-2-1-3-7-12/h4-5,8-12H,1-3,6-7H2,(H,18,20,22).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 33433200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).