N-(2,2-dimethylpropyl)-N-(2-methylpropyl)thiadiazole-5-carboxamide

C12H21N3OS — CID 71917435

IUPACN-(2,2-dimethylpropyl)-N-(2-methylpropyl)thiadiazole-5-carboxamide
SMILESCC(C)CN(CC(C)(C)C)C(=O)c1cnns1
InChIInChI=1S/C12H21N3OS/c1-9(2)7-15(8-12(3,4)5)11(16)10-6-13-14-17-10/h6,9H,7-8H2,1-5H3
InChIKeyRFCDXQCBLRFKTL-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.68
Rot. Bonds4

About N-(2,2-dimethylpropyl)-N-(2-methylpropyl)thiadiazole-5-carboxamide

N-(2,2-dimethylpropyl)-N-(2-methylpropyl)thiadiazole-5-carboxamide (PubChem CID 71917435) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-(2-methylpropyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-(2-methylpropyl)thiadiazole-5-carboxamide
PubChem CID71917435
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-(2,2-dimethylpropyl)-N-(2-methylpropyl)thiadiazole-5-carboxamide
SMILESCC(C)CN(CC(C)(C)C)C(=O)c1cnns1
InChIInChI=1S/C12H21N3OS/c1-9(2)7-15(8-12(3,4)5)11(16)10-6-13-14-17-10/h6,9H,7-8H2,1-5H3
InChIKeyRFCDXQCBLRFKTL-UHFFFAOYSA-N
XLogP2.68
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-(2-methylpropyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-(2-methylpropyl)thiadiazole-5-carboxamide (CID 71917435) is N-(2,2-dimethylpropyl)-N-(2-methylpropyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-(2-methylpropyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-(2-methylpropyl)thiadiazole-5-carboxamide is CC(C)CN(CC(C)(C)C)C(=O)c1cnns1.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-(2-methylpropyl)thiadiazole-5-carboxamide?
The InChIKey is RFCDXQCBLRFKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9(2)7-15(8-12(3,4)5)11(16)10-6-13-14-17-10/h6,9H,7-8H2,1-5H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-(2-methylpropyl)thiadiazole-5-carboxamide?
N-(2,2-dimethylpropyl)-N-(2-methylpropyl)thiadiazole-5-carboxamide has a molecular weight of 255.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-(2-methylpropyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 71917435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).