5-[5-tert-butyl-2-(methylamino)cyclohexyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C15H28N4S2 — CID 64610465

IUPAC5-[5-tert-butyl-2-(methylamino)cyclohexyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCNC1CCC(C(C)(C)C)CC1Sc1nnc(N(C)C)s1
InChIInChI=1S/C15H28N4S2/c1-15(2,3)10-7-8-11(16-4)12(9-10)20-14-18-17-13(21-14)19(5)6/h10-12,16H,7-9H2,1-6H3
InChIKeyJQOOQDOJCKOABS-UHFFFAOYSA-N
MW328.55 g/mol
LogP3.50
Rot. Bonds4

About 5-[5-tert-butyl-2-(methylamino)cyclohexyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-[5-tert-butyl-2-(methylamino)cyclohexyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 64610465) has the molecular formula C15H28N4S2 and a molecular weight of 328.55 g/mol. Its IUPAC name is 5-[5-tert-butyl-2-(methylamino)cyclohexyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[5-tert-butyl-2-(methylamino)cyclohexyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID64610465
Molecular FormulaC15H28N4S2
Molecular Weight328.55 g/mol
Exact Mass328.18
IUPAC Name5-[5-tert-butyl-2-(methylamino)cyclohexyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCNC1CCC(C(C)(C)C)CC1Sc1nnc(N(C)C)s1
InChIInChI=1S/C15H28N4S2/c1-15(2,3)10-7-8-11(16-4)12(9-10)20-14-18-17-13(21-14)19(5)6/h10-12,16H,7-9H2,1-6H3
InChIKeyJQOOQDOJCKOABS-UHFFFAOYSA-N
XLogP3.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.55
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-tert-butyl-2-(methylamino)cyclohexyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[5-tert-butyl-2-(methylamino)cyclohexyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 64610465) is 5-[5-tert-butyl-2-(methylamino)cyclohexyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[5-tert-butyl-2-(methylamino)cyclohexyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[5-tert-butyl-2-(methylamino)cyclohexyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CNC1CCC(C(C)(C)C)CC1Sc1nnc(N(C)C)s1.
What is the InChIKey of 5-[5-tert-butyl-2-(methylamino)cyclohexyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is JQOOQDOJCKOABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S2/c1-15(2,3)10-7-8-11(16-4)12(9-10)20-14-18-17-13(21-14)19(5)6/h10-12,16H,7-9H2,1-6H3.
What are the key properties of 5-[5-tert-butyl-2-(methylamino)cyclohexyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-[5-tert-butyl-2-(methylamino)cyclohexyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 328.55 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-tert-butyl-2-(methylamino)cyclohexyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64610465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).