N-[4-(methylamino)cyclohexyl]-4-propylthiadiazole-5-carboxamide

C13H22N4OS — CID 79110286

IUPACN-[4-(methylamino)cyclohexyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NC1CCC(NC)CC1
InChIInChI=1S/C13H22N4OS/c1-3-4-11-12(19-17-16-11)13(18)15-10-7-5-9(14-2)6-8-10/h9-10,14H,3-8H2,1-2H3,(H,15,18)
InChIKeyGFGLULJFOWMUOR-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.75
Rot. Bonds5

About N-[4-(methylamino)cyclohexyl]-4-propylthiadiazole-5-carboxamide

N-[4-(methylamino)cyclohexyl]-4-propylthiadiazole-5-carboxamide (PubChem CID 79110286) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[4-(methylamino)cyclohexyl]-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(methylamino)cyclohexyl]-4-propylthiadiazole-5-carboxamide
PubChem CID79110286
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-[4-(methylamino)cyclohexyl]-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NC1CCC(NC)CC1
InChIInChI=1S/C13H22N4OS/c1-3-4-11-12(19-17-16-11)13(18)15-10-7-5-9(14-2)6-8-10/h9-10,14H,3-8H2,1-2H3,(H,15,18)
InChIKeyGFGLULJFOWMUOR-UHFFFAOYSA-N
XLogP1.75
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66033078
N-cyclopentyl-4-ethylthiadiazole-5-carboxamide
CID 51204913
4-ethyl-N-[4-(hydroxymethyl)cyclohexyl]thiadiazole-5-carboxamide
CID 113384238
N-[1-(cyanomethyl)piperidin-4-yl]-4-propylthiadiazole-5-carboxamide
CID 65205676
N-[3-(cyclopropylamino)propyl]-4-propylthiadiazole-5-carboxamide
CID 65210069
4-ethyl-N-(1-ethylpiperidin-4-yl)thiadiazole-5-carboxamide
CID 30768347
N-(2-bromocyclopentyl)-4-propylthiadiazole-5-carboxamide
CID 80662634
2-[(4-propylthiadiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 65205201
N-(2-cyanocyclopentyl)-4-propylthiadiazole-5-carboxamide
CID 65205264
N-cyclopropyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204623
N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide
CID 107843629
cyclobutyl-(4-propylthiadiazol-5-yl)methanone
CID 105133689

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylamino)cyclohexyl]-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-[4-(methylamino)cyclohexyl]-4-propylthiadiazole-5-carboxamide (CID 79110286) is N-[4-(methylamino)cyclohexyl]-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-(methylamino)cyclohexyl]-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-[4-(methylamino)cyclohexyl]-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NC1CCC(NC)CC1.
What is the InChIKey of N-[4-(methylamino)cyclohexyl]-4-propylthiadiazole-5-carboxamide?
The InChIKey is GFGLULJFOWMUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-3-4-11-12(19-17-16-11)13(18)15-10-7-5-9(14-2)6-8-10/h9-10,14H,3-8H2,1-2H3,(H,15,18).
What are the key properties of N-[4-(methylamino)cyclohexyl]-4-propylthiadiazole-5-carboxamide?
N-[4-(methylamino)cyclohexyl]-4-propylthiadiazole-5-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylamino)cyclohexyl]-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 79110286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).