N-(2-methylpropyl)thiadiazole-4-carboxamide

C7H11N3OS — CID 35763707

IUPACN-(2-methylpropyl)thiadiazole-4-carboxamide
SMILESCC(C)CNC(=O)c1csnn1
InChIInChI=1S/C7H11N3OS/c1-5(2)3-8-7(11)6-4-12-10-9-6/h4-5H,3H2,1-2H3,(H,8,11)
InChIKeyFOVYFSQOAWAZII-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.92
Rot. Bonds3

About N-(2-methylpropyl)thiadiazole-4-carboxamide

N-(2-methylpropyl)thiadiazole-4-carboxamide (PubChem CID 35763707) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is N-(2-methylpropyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)thiadiazole-4-carboxamide
PubChem CID35763707
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC NameN-(2-methylpropyl)thiadiazole-4-carboxamide
SMILESCC(C)CNC(=O)c1csnn1
InChIInChI=1S/C7H11N3OS/c1-5(2)3-8-7(11)6-4-12-10-9-6/h4-5H,3H2,1-2H3,(H,8,11)
InChIKeyFOVYFSQOAWAZII-UHFFFAOYSA-N
XLogP0.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexylthiadiazole-4-carboxamide
CID 274293
(4-Ethylpiperazin-1-yl)-(thiadiazol-4-yl)methanone
CID 166703623
N-cycloheptylthiadiazole-4-carboxamide
CID 40154556
N-ethylthiadiazole-4-carboxamide
CID 274291
N-(3-amino-2,2-difluoropropyl)thiadiazole-4-carboxamide
CID 114383632
N-(3-amino-2,2-difluoropropyl)thiadiazole-4-carboxamide;hydrochloride
CID 120411673
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiadiazole-4-carboxamide
CID 120811239
N-(3,3-difluorobutan-2-yl)thiadiazole-4-carboxamide
CID 126792225
N-[(1R,2R)-2-fluorocyclohexyl]thiadiazole-4-carboxamide
CID 126793972
N-(2,2-difluoroethyl)thiadiazole-4-carboxamide
CID 126996511
N-(2-bromo-2,2-difluoroethyl)thiadiazole-4-carboxamide
CID 130620161
2-fluoro-2-methyl-N-(thiadiazol-4-ylmethyl)propanamide
CID 131097805

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)thiadiazole-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)thiadiazole-4-carboxamide (CID 35763707) is N-(2-methylpropyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)thiadiazole-4-carboxamide is CC(C)CNC(=O)c1csnn1.
What is the InChIKey of N-(2-methylpropyl)thiadiazole-4-carboxamide?
The InChIKey is FOVYFSQOAWAZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-5(2)3-8-7(11)6-4-12-10-9-6/h4-5H,3H2,1-2H3,(H,8,11).
What are the key properties of N-(2-methylpropyl)thiadiazole-4-carboxamide?
N-(2-methylpropyl)thiadiazole-4-carboxamide has a molecular weight of 185.25 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 35763707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).