N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine

C13H24N4S — CID 64982977

IUPACN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC2(N(C)C)CCCC(C)C2)s1
InChIInChI=1S/C13H24N4S/c1-10-6-5-7-13(8-10,17(3)4)9-14-12-16-15-11(2)18-12/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyRTTZXDAAYNBGAV-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.77
Rot. Bonds4

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

N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 64982977) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID64982977
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NCC2(N(C)C)CCCC(C)C2)s1
InChIInChI=1S/C13H24N4S/c1-10-6-5-7-13(8-10,17(3)4)9-14-12-16-15-11(2)18-12/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyRTTZXDAAYNBGAV-UHFFFAOYSA-N
XLogP2.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 64982977) is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NCC2(N(C)C)CCCC(C)C2)s1.
What is the InChIKey of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is RTTZXDAAYNBGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-10-6-5-7-13(8-10,17(3)4)9-14-12-16-15-11(2)18-12/h10H,5-9H2,1-4H3,(H,14,16).
What are the key properties of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 268.43 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64982977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).