3-methyl-N-[(3-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine

C11H19N3S — CID 103702729

IUPAC3-methyl-N-[(3-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC2CCCC(C)C2)n1
InChIInChI=1S/C11H19N3S/c1-8-4-3-5-10(6-8)7-12-11-13-9(2)14-15-11/h8,10H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyNWWGKXDYZRCFDV-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.08
Rot. Bonds3

About 3-methyl-N-[(3-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine

3-methyl-N-[(3-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 103702729) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 3-methyl-N-[(3-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[(3-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID103702729
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name3-methyl-N-[(3-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC2CCCC(C)C2)n1
InChIInChI=1S/C11H19N3S/c1-8-4-3-5-10(6-8)7-12-11-13-9(2)14-15-11/h8,10H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyNWWGKXDYZRCFDV-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylcyclohexyl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267977
5-N-[2-(3-methylcyclohexyl)ethyl]-1,2,4-thiadiazole-3,5-diamine
CID 66279228
3-ethyl-N-[(3-methylcyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
CID 164660260
N-[2-(3-methylcyclohexyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65273710
4,6-dimethoxy-N-[(3-methylcyclohexyl)methyl]-1,3,5-triazin-2-amine
CID 103702732
3-chloro-N-(cyclopentylmethyl)-1,2,4-thiadiazol-5-amine
CID 130616983
2,6-dichloro-4-methyl-N-[(3-methylcyclohexyl)methyl]pyridin-3-amine
CID 114051292
3-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
CID 106129708
4,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]-1,3-thiazol-2-amine
CID 65168897
3-methyl-N-(2-piperidin-4-ylethyl)-1,2,4-thiadiazol-5-amine
CID 83839875
4-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-2-carboxamide
CID 114424594
N-(2-methoxycyclopentyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65268330

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-[(3-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine (CID 103702729) is 3-methyl-N-[(3-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[(3-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-[(3-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine is Cc1nsc(NCC2CCCC(C)C2)n1.
What is the InChIKey of 3-methyl-N-[(3-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is NWWGKXDYZRCFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8-4-3-5-10(6-8)7-12-11-13-9(2)14-15-11/h8,10H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of 3-methyl-N-[(3-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine?
3-methyl-N-[(3-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 225.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-methylcyclohexyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103702729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).