N-(3-methyl-2-propan-2-ylbutyl)thiadiazole-5-carboxamide

C11H19N3OS — CID 102914845

IUPACN-(3-methyl-2-propan-2-ylbutyl)thiadiazole-5-carboxamide
SMILESCC(C)C(CNC(=O)c1cnns1)C(C)C
InChIInChI=1S/C11H19N3OS/c1-7(2)9(8(3)4)5-12-11(15)10-6-13-14-16-10/h6-9H,5H2,1-4H3,(H,12,15)
InChIKeyGSAHDDHKJNYCFD-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.20
Rot. Bonds5

About N-(3-methyl-2-propan-2-ylbutyl)thiadiazole-5-carboxamide

N-(3-methyl-2-propan-2-ylbutyl)thiadiazole-5-carboxamide (PubChem CID 102914845) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(3-methyl-2-propan-2-ylbutyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-propan-2-ylbutyl)thiadiazole-5-carboxamide
PubChem CID102914845
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-(3-methyl-2-propan-2-ylbutyl)thiadiazole-5-carboxamide
SMILESCC(C)C(CNC(=O)c1cnns1)C(C)C
InChIInChI=1S/C11H19N3OS/c1-7(2)9(8(3)4)5-12-11(15)10-6-13-14-16-10/h6-9H,5H2,1-4H3,(H,12,15)
InChIKeyGSAHDDHKJNYCFD-UHFFFAOYSA-N
XLogP2.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-1,2,3-thiadiazole-5-carboxamide
CID 45832751
N-(2,2-dimethylpropyl)-N-(2-methylpropyl)thiadiazole-5-carboxamide
CID 71917435
1-Tert-butyl-3-[1-[1-(thiadiazole-5-carbonyl)piperidin-3-yl]ethyl]urea
CID 71930333
N-ethyl-N-(2-methylcyclohexyl)thiadiazole-5-carboxamide
CID 86768817
N-[(1R)-1-Cyano-2-methylpropyl]thiadiazole-5-carboxamide
CID 132360370
N-[3-(trifluoromethyl)cyclohexyl]thiadiazole-5-carboxamide
CID 87021368
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]thiadiazole-5-carboxamide
CID 96369063
N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]thiadiazole-5-carboxamide
CID 96369064
N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]thiadiazole-5-carboxamide
CID 96369065
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]thiadiazole-5-carboxamide
CID 96369066
N-[(2S)-1-fluoropropan-2-yl]thiadiazole-5-carboxamide
CID 126996410
N-(1-fluoropropan-2-yl)thiadiazole-5-carboxamide
CID 130621548

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(3-methyl-2-propan-2-ylbutyl)thiadiazole-5-carboxamide (CID 102914845) is N-(3-methyl-2-propan-2-ylbutyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-methyl-2-propan-2-ylbutyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(3-methyl-2-propan-2-ylbutyl)thiadiazole-5-carboxamide is CC(C)C(CNC(=O)c1cnns1)C(C)C.
What is the InChIKey of N-(3-methyl-2-propan-2-ylbutyl)thiadiazole-5-carboxamide?
The InChIKey is GSAHDDHKJNYCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7(2)9(8(3)4)5-12-11(15)10-6-13-14-16-10/h6-9H,5H2,1-4H3,(H,12,15).
What are the key properties of N-(3-methyl-2-propan-2-ylbutyl)thiadiazole-5-carboxamide?
N-(3-methyl-2-propan-2-ylbutyl)thiadiazole-5-carboxamide has a molecular weight of 241.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-propan-2-ylbutyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 102914845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).