5-(3-aminocyclohexyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C10H18N4S2 — CID 64717985

IUPAC5-(3-aminocyclohexyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SC2CCCC(N)C2)s1
InChIInChI=1S/C10H18N4S2/c1-14(2)9-12-13-10(16-9)15-8-5-3-4-7(11)6-8/h7-8H,3-6,11H2,1-2H3
InChIKeyCOKLHKBHFIVCTC-UHFFFAOYSA-N
MW258.42 g/mol
LogP1.97
Rot. Bonds3

About 5-(3-aminocyclohexyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-(3-aminocyclohexyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 64717985) has the molecular formula C10H18N4S2 and a molecular weight of 258.42 g/mol. Its IUPAC name is 5-(3-aminocyclohexyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-aminocyclohexyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID64717985
Molecular FormulaC10H18N4S2
Molecular Weight258.42 g/mol
Exact Mass258.10
IUPAC Name5-(3-aminocyclohexyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(SC2CCCC(N)C2)s1
InChIInChI=1S/C10H18N4S2/c1-14(2)9-12-13-10(16-9)15-8-5-3-4-7(11)6-8/h7-8H,3-6,11H2,1-2H3
InChIKeyCOKLHKBHFIVCTC-UHFFFAOYSA-N
XLogP1.97
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminocyclohexyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-aminocyclohexyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 64717985) is 5-(3-aminocyclohexyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-aminocyclohexyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-aminocyclohexyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(SC2CCCC(N)C2)s1.
What is the InChIKey of 5-(3-aminocyclohexyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is COKLHKBHFIVCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S2/c1-14(2)9-12-13-10(16-9)15-8-5-3-4-7(11)6-8/h7-8H,3-6,11H2,1-2H3.
What are the key properties of 5-(3-aminocyclohexyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-(3-aminocyclohexyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 258.42 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminocyclohexyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64717985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).