2-N-(cyclohexylmethyl)-1,3,4-thiadiazole-2,5-diamine

C9H16N4S — CID 19016677

IUPAC2-N-(cyclohexylmethyl)-1,3,4-thiadiazole-2,5-diamine
SMILESNc1nnc(NCC2CCCCC2)s1
InChIInChI=1S/C9H16N4S/c10-8-12-13-9(14-8)11-6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,10,12)(H,11,13)
InChIKeyMZJYIZRMTXACSF-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.11
Rot. Bonds3

About 2-N-(cyclohexylmethyl)-1,3,4-thiadiazole-2,5-diamine

2-N-(cyclohexylmethyl)-1,3,4-thiadiazole-2,5-diamine (PubChem CID 19016677) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-N-(cyclohexylmethyl)-1,3,4-thiadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(cyclohexylmethyl)-1,3,4-thiadiazole-2,5-diamine
PubChem CID19016677
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name2-N-(cyclohexylmethyl)-1,3,4-thiadiazole-2,5-diamine
SMILESNc1nnc(NCC2CCCCC2)s1
InChIInChI=1S/C9H16N4S/c10-8-12-13-9(14-8)11-6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,10,12)(H,11,13)
InChIKeyMZJYIZRMTXACSF-UHFFFAOYSA-N
XLogP2.11
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Cyclohexylmethylamino)-1,3,4-thiadiazole-2-sulfonamide
CID 162653721
5-(2-Cyclohexylethylamino)-1,3,4-thiadiazole-2-sulfonamide
CID 171354578
1-cyclohexyl-N,N'-bis(1,3,4-thiadiazol-2-yl)methanediamine
CID 342092
2-N-undecyl-1,3,4-thiadiazole-2,5-diamine
CID 17873965
2-N,2-N-bis(2-ethylhexyl)-1,3,4-thiadiazole-2,5-diamine
CID 20427034
2-N-(2-ethylhexyl)-1,3,4-thiadiazole-2,5-diamine
CID 20427076
2-N-cyclohexyl-1,3,4-thiadiazole-2,5-diamine
CID 20427116
2-N-(2-ethylhexyl)-2-N-methyl-1,3,4-thiadiazole-2,5-diamine
CID 57132111
N-(2-ethylhexyl)-1,3,4-thiadiazol-2-amine
CID 57140898
N-(cyclohexylmethyl)-1,3,4-thiadiazol-2-amine
CID 64159098
2-N-(5-methylheptyl)-1,3,4-thiadiazole-2,5-diamine
CID 70487845
N2,N5-Dicyclohexyl-1,3,4-thiadiazole-2,5-diamine
CID 154101878

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclohexylmethyl)-1,3,4-thiadiazole-2,5-diamine?
The IUPAC name of 2-N-(cyclohexylmethyl)-1,3,4-thiadiazole-2,5-diamine (CID 19016677) is 2-N-(cyclohexylmethyl)-1,3,4-thiadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(cyclohexylmethyl)-1,3,4-thiadiazole-2,5-diamine?
The canonical SMILES for 2-N-(cyclohexylmethyl)-1,3,4-thiadiazole-2,5-diamine is Nc1nnc(NCC2CCCCC2)s1.
What is the InChIKey of 2-N-(cyclohexylmethyl)-1,3,4-thiadiazole-2,5-diamine?
The InChIKey is MZJYIZRMTXACSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c10-8-12-13-9(14-8)11-6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,10,12)(H,11,13).
What are the key properties of 2-N-(cyclohexylmethyl)-1,3,4-thiadiazole-2,5-diamine?
2-N-(cyclohexylmethyl)-1,3,4-thiadiazole-2,5-diamine has a molecular weight of 212.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclohexylmethyl)-1,3,4-thiadiazole-2,5-diamine is sourced from PubChem (CID 19016677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).