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

C14H17N3OS2 — CID 1245673

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(C3CCCCC3)s2)cs1
InChIInChI=1S/C14H17N3OS2/c1-9-7-11(8-19-9)12(18)15-14-17-16-13(20-14)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,15,17,18)
InChIKeyHBOBPKDITQEZSG-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.21
Rot. Bonds3

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

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide (PubChem CID 1245673) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide
PubChem CID1245673
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2nnc(C3CCCCC3)s2)cs1
InChIInChI=1S/C14H17N3OS2/c1-9-7-11(8-19-9)12(18)15-14-17-16-13(20-14)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,15,17,18)
InChIKeyHBOBPKDITQEZSG-UHFFFAOYSA-N
XLogP4.21
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.21
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-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 4116600
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 8438614
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylthiophene-3-carboxamide
CID 9460401
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

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide (CID 1245673) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide is Cc1cc(C(=O)Nc2nnc(C3CCCCC3)s2)cs1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide?
The InChIKey is HBOBPKDITQEZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-9-7-11(8-19-9)12(18)15-14-17-16-13(20-14)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,15,17,18).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 1245673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).