N-[(4-cyanocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide

C12H16N4OS — CID 166292864

IUPACN-[(4-cyanocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC1CCC(C#N)CC1
InChIInChI=1S/C12H16N4OS/c1-8-11(18-16-15-8)12(17)14-7-10-4-2-9(6-13)3-5-10/h9-10H,2-5,7H2,1H3,(H,14,17)
InChIKeyRYAKVKIXIXAYIN-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.91
Rot. Bonds3

About N-[(4-cyanocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide

N-[(4-cyanocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 166292864) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[(4-cyanocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide
PubChem CID166292864
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-[(4-cyanocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC1CCC(C#N)CC1
InChIInChI=1S/C12H16N4OS/c1-8-11(18-16-15-8)12(17)14-7-10-4-2-9(6-13)3-5-10/h9-10H,2-5,7H2,1H3,(H,14,17)
InChIKeyRYAKVKIXIXAYIN-UHFFFAOYSA-N
XLogP1.91
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(4-methylcyclohexyl)methyl]thiadiazole-5-carboxamide
CID 154862352
4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide
CID 62541807
(4-cyanocyclohexyl)methylcarbamic acid
CID 67500694
N-cyano-4-methylthiadiazole-5-carboxamide
CID 79195320
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
4-methyl-N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide
CID 56714920
N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 126987991
N-[(1R)-1-cyanoethyl]-4-methylthiadiazole-5-carboxamide
CID 130667963
4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 43600601
N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-4-methylthiadiazole-5-carboxamide
CID 100751090
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-methylthiadiazole-5-carboxamide
CID 95749634
2,2-dimethyl-3-[(4-methylthiadiazole-5-carbonyl)amino]propanoic acid
CID 115427027

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(4-cyanocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide (CID 166292864) is N-[(4-cyanocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(4-cyanocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(4-cyanocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCC1CCC(C#N)CC1.
What is the InChIKey of N-[(4-cyanocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is RYAKVKIXIXAYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8-11(18-16-15-8)12(17)14-7-10-4-2-9(6-13)3-5-10/h9-10H,2-5,7H2,1H3,(H,14,17).
What are the key properties of N-[(4-cyanocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide?
N-[(4-cyanocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 166292864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).