4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine

C9H14N2S — CID 3833816

IUPAC4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine
SMILESNc1nc2c(s1)CCCCCC2
InChIInChI=1S/C9H14N2S/c10-9-11-7-5-3-1-2-4-6-8(7)12-9/h1-6H2,(H2,10,11)
InChIKeyWGULVBTUKIEYSA-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.38
Rot. Bonds

About 4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine

4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine (PubChem CID 3833816) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine.

Molecular Properties

Compound Name4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine
PubChem CID3833816
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine
SMILESNc1nc2c(s1)CCCCCC2
InChIInChI=1S/C9H14N2S/c10-9-11-7-5-3-1-2-4-6-8(7)12-9/h1-6H2,(H2,10,11)
InChIKeyWGULVBTUKIEYSA-UHFFFAOYSA-N
XLogP2.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine?
The IUPAC name of 4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine (CID 3833816) is 4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine.
What is the SMILES notation for 4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine?
The canonical SMILES for 4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine is Nc1nc2c(s1)CCCCCC2.
What is the InChIKey of 4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine?
The InChIKey is WGULVBTUKIEYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c10-9-11-7-5-3-1-2-4-6-8(7)12-9/h1-6H2,(H2,10,11).
What are the key properties of 4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine?
4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine has a molecular weight of 182.29 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine is sourced from PubChem (CID 3833816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).