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

C10H18N4S — CID 103970418

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine
SMILESNCC1(CNc2ncns2)CCCCC1
InChIInChI=1S/C10H18N4S/c11-6-10(4-2-1-3-5-10)7-12-9-13-8-14-15-9/h8H,1-7,11H2,(H,12,13,14)
InChIKeyINAZJTQSMHOPGS-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.86
Rot. Bonds4

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

N-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 103970418) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine
PubChem CID103970418
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine
SMILESNCC1(CNc2ncns2)CCCCC1
InChIInChI=1S/C10H18N4S/c11-6-10(4-2-1-3-5-10)7-12-9-13-8-14-15-9/h8H,1-7,11H2,(H,12,13,14)
InChIKeyINAZJTQSMHOPGS-UHFFFAOYSA-N
XLogP1.86
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1,2,4-thiadiazol-5-ylamino)methyl]cyclohexan-1-ol
CID 65274526
N-[[1-(aminomethyl)cyclohexyl]methyl]-1,3-thiazol-2-amine
CID 103970472
N-[[1-(dimethylamino)cyclopentyl]methyl]-1,2,4-thiadiazol-5-amine
CID 82712959
N'-(1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65272508
N-[[1-(aminomethyl)cyclohexyl]methyl]aniline
CID 115438130
N-[[1-(aminomethyl)cyclopropyl]methyl]-1,3-thiazol-2-amine
CID 115457087
N-[[1-(aminomethyl)cyclohexyl]methyl]pyridin-2-amine
CID 103970402
N-[[1-(aminomethyl)cyclohexyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 103970460
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 107164406
[1-(1,2,4-thiadiazol-5-yl)cyclobutyl]methanamine
CID 96739341
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103386537
N-[[1-(aminomethyl)cyclopentyl]methyl]-5-tert-butylpyridin-2-amine
CID 107875696

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine (CID 103970418) is N-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine is NCC1(CNc2ncns2)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is INAZJTQSMHOPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c11-6-10(4-2-1-3-5-10)7-12-9-13-8-14-15-9/h8H,1-7,11H2,(H,12,13,14).
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine?
N-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 226.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103970418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).