N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine

C10H17N3S — CID 163727078

IUPACN-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
SMILESCNC1CCC(c2nnc(C)s2)CC1
InChIInChI=1S/C10H17N3S/c1-7-12-13-10(14-7)8-3-5-9(11-2)6-4-8/h8-9,11H,3-6H2,1-2H3
InChIKeyKWNBMOGZFHCPEJ-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.09
Rot. Bonds2

About N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine

N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine (PubChem CID 163727078) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
PubChem CID163727078
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
SMILESCNC1CCC(c2nnc(C)s2)CC1
InChIInChI=1S/C10H17N3S/c1-7-12-13-10(14-7)8-3-5-9(11-2)6-4-8/h8-9,11H,3-6H2,1-2H3
InChIKeyKWNBMOGZFHCPEJ-UHFFFAOYSA-N
XLogP2.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(Difluoromethyl)-1,3,4-thiadiazol-2-yl]cyclohexan-1-amine
CID 146389300
N-[[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 81934223
N-[2-[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 81934224
N-[2-[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
CID 81934242
N-methyl-1-[5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 81934267
N-[2-[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]cyclopropanamine
CID 81934268
N-methyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 81934293
N-[2-[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 81934294
1-[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine
CID 81934321
N-[2-[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]-2-methylpropan-1-amine
CID 81934322
N-ethyl-1-[5-[3-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 81934347
N-ethyl-1-[5-[4-(trifluoromethyl)cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 81934377

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine (CID 163727078) is N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine is CNC1CCC(c2nnc(C)s2)CC1.
What is the InChIKey of N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The InChIKey is KWNBMOGZFHCPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7-12-13-10(14-7)8-3-5-9(11-2)6-4-8/h8-9,11H,3-6H2,1-2H3.
What are the key properties of N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine has a molecular weight of 211.33 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 163727078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).