N-(2-amino-1-cyclopropylethyl)-N-methylthiadiazole-4-carboxamide

C9H14N4OS — CID 116652070

IUPACN-(2-amino-1-cyclopropylethyl)-N-methylthiadiazole-4-carboxamide
SMILESCN(C(=O)c1csnn1)C(CN)C1CC1
InChIInChI=1S/C9H14N4OS/c1-13(8(4-10)6-2-3-6)9(14)7-5-15-12-11-7/h5-6,8H,2-4,10H2,1H3
InChIKeyOMDFZNJCSHOAQU-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.35
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-N-methylthiadiazole-4-carboxamide

N-(2-amino-1-cyclopropylethyl)-N-methylthiadiazole-4-carboxamide (PubChem CID 116652070) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-N-methylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-N-methylthiadiazole-4-carboxamide
PubChem CID116652070
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC NameN-(2-amino-1-cyclopropylethyl)-N-methylthiadiazole-4-carboxamide
SMILESCN(C(=O)c1csnn1)C(CN)C1CC1
InChIInChI=1S/C9H14N4OS/c1-13(8(4-10)6-2-3-6)9(14)7-5-15-12-11-7/h5-6,8H,2-4,10H2,1H3
InChIKeyOMDFZNJCSHOAQU-UHFFFAOYSA-N
XLogP0.35
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexylthiadiazole-4-carboxamide
CID 274293
2-methyl-N-(2-methylpropyl)-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 49791390
N-cycloheptylthiadiazole-4-carboxamide
CID 40154556
N-[4-(2-bromo-2-fluorocyclopropyl)butyl]thiadiazole-4-carboxamide
CID 177901876
N-[4-(2-chloro-2-fluorocyclopropyl)butyl]thiadiazole-4-carboxamide
CID 178258232
N-ethylthiadiazole-4-carboxamide
CID 274291
N-[(1R,2R)-2-fluorocyclohexyl]thiadiazole-4-carboxamide
CID 126793972
N-(1,1,1-trifluoropentan-3-yl)thiadiazole-4-carboxamide
CID 136531036
1-methyl-N-[(3S,4R)-1-(thiadiazole-4-carbonyl)-4-(trifluoromethyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 154806111
1,2,3-Thiadiazole-4-carboxamide,n-[2-(cyclopentylamino)-2-oxoethyl]-n-(3-methylbutyl)-
CID 3219343
N-(2-azepan-1-ylethyl)-N-isopropyl-1,2,3-thiadiazole-4-carboxamide
CID 50956653
N-(4-methylcyclohexyl)thiadiazole-4-carboxamide
CID 47180328

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-N-methylthiadiazole-4-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-N-methylthiadiazole-4-carboxamide (CID 116652070) is N-(2-amino-1-cyclopropylethyl)-N-methylthiadiazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-N-methylthiadiazole-4-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-N-methylthiadiazole-4-carboxamide is CN(C(=O)c1csnn1)C(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-N-methylthiadiazole-4-carboxamide?
The InChIKey is OMDFZNJCSHOAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-13(8(4-10)6-2-3-6)9(14)7-5-15-12-11-7/h5-6,8H,2-4,10H2,1H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-N-methylthiadiazole-4-carboxamide?
N-(2-amino-1-cyclopropylethyl)-N-methylthiadiazole-4-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-N-methylthiadiazole-4-carboxamide is sourced from PubChem (CID 116652070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).