N-cycloheptyl-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

C12H20N4OS — CID 80615120

IUPACN-cycloheptyl-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)N(C)C2CCCCCC2)s1
InChIInChI=1S/C12H20N4OS/c1-13-12-15-14-10(18-12)11(17)16(2)9-7-5-3-4-6-8-9/h9H,3-8H2,1-2H3,(H,13,15)
InChIKeyODRRUXFIGAMCGW-UHFFFAOYSA-N
MW268.39 g/mol
LogP2.37
Rot. Bonds3

About N-cycloheptyl-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

N-cycloheptyl-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615120) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-cycloheptyl-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615120
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-cycloheptyl-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)N(C)C2CCCCCC2)s1
InChIInChI=1S/C12H20N4OS/c1-13-12-15-14-10(18-12)11(17)16(2)9-7-5-3-4-6-8-9/h9H,3-8H2,1-2H3,(H,13,15)
InChIKeyODRRUXFIGAMCGW-UHFFFAOYSA-N
XLogP2.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615458
N-cyclobutyl-N-(2-hydroxyethyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 102870469
5-(ethylamino)-N-(1-ethylpiperidin-4-yl)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80616290
N-cyclopentyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615777
N-cyclopropyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615428
5-[[cyclohexyl(methyl)amino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80606870
N-(cyclopropylmethyl)-5-(methylamino)-N-propyl-1,3,4-thiadiazole-2-carboxamide
CID 80615496
N-(3-cyclopentylpropyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 106015395
N-[2-[cyclopentyl(methyl)amino]ethyl]-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616910
N-(2-hydroxycyclohexyl)-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 102636762
3-azabicyclo[3.3.1]nonan-3-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 114196780
[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 80615425

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-cycloheptyl-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80615120) is N-cycloheptyl-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-cycloheptyl-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)N(C)C2CCCCCC2)s1.
What is the InChIKey of N-cycloheptyl-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is ODRRUXFIGAMCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-13-12-15-14-10(18-12)11(17)16(2)9-7-5-3-4-6-8-9/h9H,3-8H2,1-2H3,(H,13,15).
What are the key properties of N-cycloheptyl-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-cycloheptyl-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 268.39 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-methyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).