N-(2,2-dimethylpropyl)-4-methylthiadiazole-5-carboxamide

C9H15N3OS — CID 167221291

IUPACN-(2,2-dimethylpropyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC(C)(C)C
InChIInChI=1S/C9H15N3OS/c1-6-7(14-12-11-6)8(13)10-5-9(2,3)4/h5H2,1-4H3,(H,10,13)
InChIKeyRMCMMBBTWSBHMW-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.62
Rot. Bonds2

About N-(2,2-dimethylpropyl)-4-methylthiadiazole-5-carboxamide

N-(2,2-dimethylpropyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 167221291) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-methylthiadiazole-5-carboxamide
PubChem CID167221291
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-(2,2-dimethylpropyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC(C)(C)C
InChIInChI=1S/C9H15N3OS/c1-6-7(14-12-11-6)8(13)10-5-9(2,3)4/h5H2,1-4H3,(H,10,13)
InChIKeyRMCMMBBTWSBHMW-UHFFFAOYSA-N
XLogP1.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-4-methylthiadiazole-5-carboxamide (CID 167221291) is N-(2,2-dimethylpropyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is RMCMMBBTWSBHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6-7(14-12-11-6)8(13)10-5-9(2,3)4/h5H2,1-4H3,(H,10,13).
What are the key properties of N-(2,2-dimethylpropyl)-4-methylthiadiazole-5-carboxamide?
N-(2,2-dimethylpropyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 213.31 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 167221291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).