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

C10H18N4S — CID 65208241

IUPACN-[1-(aminomethyl)cyclohexyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC2(CN)CCCCC2)s1
InChIInChI=1S/C10H18N4S/c1-8-13-14-9(15-8)12-10(7-11)5-3-2-4-6-10/h2-7,11H2,1H3,(H,12,14)
InChIKeyASACTFSSYOIIGT-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.92
Rot. Bonds3

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

N-[1-(aminomethyl)cyclohexyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 65208241) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID65208241
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC2(CN)CCCCC2)s1
InChIInChI=1S/C10H18N4S/c1-8-13-14-9(15-8)12-10(7-11)5-3-2-4-6-10/h2-7,11H2,1H3,(H,12,14)
InChIKeyASACTFSSYOIIGT-UHFFFAOYSA-N
XLogP1.92
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexylmethyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 107647731
5-tert-butyl-N-(cyclohexylmethyl)-1,3,4-thiadiazol-2-amine
CID 172436004
N-{[1-(Dimethylamino)cyclopentyl]methyl}-5-ethyl-1,3,4-thiadiazol-2-amine
CID 122561297
N-[1-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113587012
2,4-dimethyl-2-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine
CID 113587029
N-[1-(aminomethyl)cyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113587089
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448344
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449982
1-cyclohexyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
CID 114449983
N-[1-(aminomethyl)-3-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114450390
N-[1-(aminomethyl)-4-methylcyclohexyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114450391
N-[(1-aminocyclohexyl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 121662760

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 65208241) is N-[1-(aminomethyl)cyclohexyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NC2(CN)CCCCC2)s1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ASACTFSSYOIIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-8-13-14-9(15-8)12-10(7-11)5-3-2-4-6-10/h2-7,11H2,1H3,(H,12,14).
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[1-(aminomethyl)cyclohexyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 226.35 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 65208241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).