N-(3-amino-2,2-dimethylpropyl)-N-methylthiadiazole-5-carboxamide

C9H16N4OS — CID 79652392

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methylthiadiazole-5-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cnns1
InChIInChI=1S/C9H16N4OS/c1-9(2,5-10)6-13(3)8(14)7-4-11-12-15-7/h4H,5-6,10H2,1-3H3
InChIKeyKFUPXRWYPNMBDT-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.60
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-N-methylthiadiazole-5-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N-methylthiadiazole-5-carboxamide (PubChem CID 79652392) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methylthiadiazole-5-carboxamide
PubChem CID79652392
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methylthiadiazole-5-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1cnns1
InChIInChI=1S/C9H16N4OS/c1-9(2,5-10)6-13(3)8(14)7-4-11-12-15-7/h4H,5-6,10H2,1-3H3
InChIKeyKFUPXRWYPNMBDT-UHFFFAOYSA-N
XLogP0.60
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide
CID 79383991
N-ethyl-N-methylthiadiazole-5-carboxamide
CID 127017419
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119652529
N-[(4-aminophenyl)methyl]-N-methylthiadiazole-5-carboxamide
CID 65216471
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119652672
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide
CID 79653062
3-N-(3-amino-2,2-dimethylpropyl)-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide;hydrochloride
CID 119657069
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 79652972
N-(3-amino-2,2-dimethylpropyl)-N,6-dimethylpyridine-3-carboxamide
CID 79652120
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119652439

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methylthiadiazole-5-carboxamide (CID 79652392) is N-(3-amino-2,2-dimethylpropyl)-N-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methylthiadiazole-5-carboxamide is CN(CC(C)(C)CN)C(=O)c1cnns1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methylthiadiazole-5-carboxamide?
The InChIKey is KFUPXRWYPNMBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-9(2,5-10)6-13(3)8(14)7-4-11-12-15-7/h4H,5-6,10H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methylthiadiazole-5-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N-methylthiadiazole-5-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 79652392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).