N-tert-butyl-3-(1-ethoxycycloheptyl)-1,2,4-thiadiazol-5-amine

C15H27N3OS — CID 116782367

IUPACN-tert-butyl-3-(1-ethoxycycloheptyl)-1,2,4-thiadiazol-5-amine
SMILESCCOC1(c2nsc(NC(C)(C)C)n2)CCCCCC1
InChIInChI=1S/C15H27N3OS/c1-5-19-15(10-8-6-7-9-11-15)12-16-13(20-18-12)17-14(2,3)4/h5-11H2,1-4H3,(H,16,17,18)
InChIKeyWXOIVEHTTVYJNF-UHFFFAOYSA-N
MW297.47 g/mol
LogP4.33
Rot. Bonds4

About N-tert-butyl-3-(1-ethoxycycloheptyl)-1,2,4-thiadiazol-5-amine

N-tert-butyl-3-(1-ethoxycycloheptyl)-1,2,4-thiadiazol-5-amine (PubChem CID 116782367) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is N-tert-butyl-3-(1-ethoxycycloheptyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(1-ethoxycycloheptyl)-1,2,4-thiadiazol-5-amine
PubChem CID116782367
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC NameN-tert-butyl-3-(1-ethoxycycloheptyl)-1,2,4-thiadiazol-5-amine
SMILESCCOC1(c2nsc(NC(C)(C)C)n2)CCCCCC1
InChIInChI=1S/C15H27N3OS/c1-5-19-15(10-8-6-7-9-11-15)12-16-13(20-18-12)17-14(2,3)4/h5-11H2,1-4H3,(H,16,17,18)
InChIKeyWXOIVEHTTVYJNF-UHFFFAOYSA-N
XLogP4.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethoxycyclopentyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 116782325
N-tert-butyl-3-(1-methoxy-3-methylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 116782368
N-cyclopropyl-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 116782339
3-(1-ethoxy-4-methylcyclohexyl)-N-(2-methoxyethyl)-1,2,4-thiadiazol-5-amine
CID 116782401
2-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116741876
4-tert-butyl-6-chloro-2-(1-ethoxycycloheptyl)pyrimidine
CID 116745718
2-(1-ethoxycyclohexyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 116776442
2-(1-ethoxycyclohexyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 116775825
2-(1-ethoxycycloheptyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 116775828
4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine
CID 116745802
2-(1-ethoxycyclohexyl)-N-propylpyrimidin-4-amine
CID 116776076
2-(1-ethoxycyclopentyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 116776412

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(1-ethoxycycloheptyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-tert-butyl-3-(1-ethoxycycloheptyl)-1,2,4-thiadiazol-5-amine (CID 116782367) is N-tert-butyl-3-(1-ethoxycycloheptyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-tert-butyl-3-(1-ethoxycycloheptyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-tert-butyl-3-(1-ethoxycycloheptyl)-1,2,4-thiadiazol-5-amine is CCOC1(c2nsc(NC(C)(C)C)n2)CCCCCC1.
What is the InChIKey of N-tert-butyl-3-(1-ethoxycycloheptyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is WXOIVEHTTVYJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-5-19-15(10-8-6-7-9-11-15)12-16-13(20-18-12)17-14(2,3)4/h5-11H2,1-4H3,(H,16,17,18).
What are the key properties of N-tert-butyl-3-(1-ethoxycycloheptyl)-1,2,4-thiadiazol-5-amine?
N-tert-butyl-3-(1-ethoxycycloheptyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 297.47 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(1-ethoxycycloheptyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 116782367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).