4-methyl-N-[(4-methylcyclohexyl)methyl]thiadiazole-5-carboxamide

C12H19N3OS — CID 154862352

IUPAC4-methyl-N-[(4-methylcyclohexyl)methyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC1CCC(C)CC1
InChIInChI=1S/C12H19N3OS/c1-8-3-5-10(6-4-8)7-13-12(16)11-9(2)14-15-17-11/h8,10H,3-7H2,1-2H3,(H,13,16)
InChIKeyXDNCPZSBPVWRIR-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.40
Rot. Bonds3

About 4-methyl-N-[(4-methylcyclohexyl)methyl]thiadiazole-5-carboxamide

4-methyl-N-[(4-methylcyclohexyl)methyl]thiadiazole-5-carboxamide (PubChem CID 154862352) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylcyclohexyl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(4-methylcyclohexyl)methyl]thiadiazole-5-carboxamide
PubChem CID154862352
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name4-methyl-N-[(4-methylcyclohexyl)methyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC1CCC(C)CC1
InChIInChI=1S/C12H19N3OS/c1-8-3-5-10(6-4-8)7-13-12(16)11-9(2)14-15-17-11/h8,10H,3-7H2,1-2H3,(H,13,16)
InChIKeyXDNCPZSBPVWRIR-UHFFFAOYSA-N
XLogP2.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-cyanocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 166292864
4-methyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide
CID 62541807
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-(cyclopropylmethyl)-4-methyl-N-propylthiadiazole-5-carboxamide
CID 7576734
4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 43600601
2-amino-N-[(4-methylcyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 63243415
N-[[1-(dimethylcarbamoyl)piperidin-4-yl]methyl]-4-propylthiadiazole-5-carboxamide
CID 121020456
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 4-methyl-N-[(4-methylcyclohexyl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(4-methylcyclohexyl)methyl]thiadiazole-5-carboxamide (CID 154862352) is 4-methyl-N-[(4-methylcyclohexyl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(4-methylcyclohexyl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(4-methylcyclohexyl)methyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCC1CCC(C)CC1.
What is the InChIKey of 4-methyl-N-[(4-methylcyclohexyl)methyl]thiadiazole-5-carboxamide?
The InChIKey is XDNCPZSBPVWRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8-3-5-10(6-4-8)7-13-12(16)11-9(2)14-15-17-11/h8,10H,3-7H2,1-2H3,(H,13,16).
What are the key properties of 4-methyl-N-[(4-methylcyclohexyl)methyl]thiadiazole-5-carboxamide?
4-methyl-N-[(4-methylcyclohexyl)methyl]thiadiazole-5-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methylcyclohexyl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 154862352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).