1-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,3-diamine

C9H16N4S — CID 107648214

IUPAC1-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,3-diamine
SMILESCc1nnc(NC2CCCC(N)C2)s1
InChIInChI=1S/C9H16N4S/c1-6-12-13-9(14-6)11-8-4-2-3-7(10)5-8/h7-8H,2-5,10H2,1H3,(H,11,13)
InChIKeyVCKXXBIYIWWDTQ-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.53
Rot. Bonds2

About 1-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,3-diamine

1-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,3-diamine (PubChem CID 107648214) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,3-diamine
PubChem CID107648214
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name1-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,3-diamine
SMILESCc1nnc(NC2CCCC(N)C2)s1
InChIInChI=1S/C9H16N4S/c1-6-12-13-9(14-6)11-8-4-2-3-7(10)5-8/h7-8H,2-5,10H2,1H3,(H,11,13)
InChIKeyVCKXXBIYIWWDTQ-UHFFFAOYSA-N
XLogP1.53
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-methyl-4-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,4-diamine
CID 79110490
N-(4-tert-butylcycloheptyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648441
N-(azetidin-3-yl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 66186567
4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexane-1-carboxylic acid
CID 65208967
N-(3-ethoxycyclobutyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 102609219
1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1,3-diamine
CID 79459261
1-N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutane-1,3-diamine
CID 107647807
5-methyl-N-(2-piperidin-2-ylcyclopentyl)-1,3,4-thiadiazol-2-amine
CID 107648271
2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]acetamide
CID 64982972
1-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]cyclohexane-1,3-diamine
CID 79458662
N-[(1S,2S)-2-(methoxymethyl)cyclobutyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 131107678
N-(2,2-dimethylcyclopropyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 64983019

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,3-diamine (CID 107648214) is 1-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,3-diamine is Cc1nnc(NC2CCCC(N)C2)s1.
What is the InChIKey of 1-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,3-diamine?
The InChIKey is VCKXXBIYIWWDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-6-12-13-9(14-6)11-8-4-2-3-7(10)5-8/h7-8H,2-5,10H2,1H3,(H,11,13).
What are the key properties of 1-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,3-diamine?
1-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,3-diamine has a molecular weight of 212.32 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,3-diamine is sourced from PubChem (CID 107648214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).