N-(2-aminocycloheptyl)-4-methylthiadiazole-5-carboxamide

C11H18N4OS — CID 63258149

IUPACN-(2-aminocycloheptyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC1CCCCCC1N
InChIInChI=1S/C11H18N4OS/c1-7-10(17-15-14-7)11(16)13-9-6-4-2-3-5-8(9)12/h8-9H,2-6,12H2,1H3,(H,13,16)
InChIKeyNAXORUWTJDSQTN-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.24
Rot. Bonds2

About N-(2-aminocycloheptyl)-4-methylthiadiazole-5-carboxamide

N-(2-aminocycloheptyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 63258149) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)-4-methylthiadiazole-5-carboxamide
PubChem CID63258149
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-(2-aminocycloheptyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC1CCCCCC1N
InChIInChI=1S/C11H18N4OS/c1-7-10(17-15-14-7)11(16)13-9-6-4-2-3-5-8(9)12/h8-9H,2-6,12H2,1H3,(H,13,16)
InChIKeyNAXORUWTJDSQTN-UHFFFAOYSA-N
XLogP1.24
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorocyclohexyl)-4-methylthiadiazole-5-carboxamide
CID 114301139
N-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide
CID 106366535
N-(2-aminocyclopentyl)-4-ethylthiadiazole-5-carboxamide
CID 65210234
N-(2-aminocyclohexyl)-3-methylthiophene-2-carboxamide;hydrochloride
CID 71638238
N-(2-aminocycloheptyl)thiadiazole-4-carboxamide
CID 65216552
4-methyl-N-[(3S)-piperidin-3-yl]thiadiazole-5-carboxamide
CID 104982433
5-amino-N-(2-aminocyclohexyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80519119
4-amino-N-(2-aminocyclohexyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116663067
N-(2-adamantyl)-4-methylthiadiazole-5-carboxamide
CID 3876536
N-[2-(aminomethyl)cyclohexyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119610117
N-(2-aminocyclohexyl)-4-methylbenzamide
CID 61037352
4-amino-N-(2-aminocyclohexyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663074

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-aminocycloheptyl)-4-methylthiadiazole-5-carboxamide (CID 63258149) is N-(2-aminocycloheptyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-aminocycloheptyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-aminocycloheptyl)-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC1CCCCCC1N.
What is the InChIKey of N-(2-aminocycloheptyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is NAXORUWTJDSQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-7-10(17-15-14-7)11(16)13-9-6-4-2-3-5-8(9)12/h8-9H,2-6,12H2,1H3,(H,13,16).
What are the key properties of N-(2-aminocycloheptyl)-4-methylthiadiazole-5-carboxamide?
N-(2-aminocycloheptyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 63258149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).