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

C12H20N2OS — CID 62942560

IUPACN-(2-methoxyethyl)-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine
SMILESCOCCNc1nc2c(s1)CCCCCC2
InChIInChI=1S/C12H20N2OS/c1-15-9-8-13-12-14-10-6-4-2-3-5-7-11(10)16-12/h2-9H2,1H3,(H,13,14)
InChIKeyVUUAOHJJXWRWPR-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.86
Rot. Bonds4

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

N-(2-methoxyethyl)-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine (PubChem CID 62942560) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine
PubChem CID62942560
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-(2-methoxyethyl)-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine
SMILESCOCCNc1nc2c(s1)CCCCCC2
InChIInChI=1S/C12H20N2OS/c1-15-9-8-13-12-14-10-6-4-2-3-5-7-11(10)16-12/h2-9H2,1H3,(H,13,14)
InChIKeyVUUAOHJJXWRWPR-UHFFFAOYSA-N
XLogP2.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine (CID 62942560) is N-(2-methoxyethyl)-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine is COCCNc1nc2c(s1)CCCCCC2.
What is the InChIKey of N-(2-methoxyethyl)-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine?
The InChIKey is VUUAOHJJXWRWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-15-9-8-13-12-14-10-6-4-2-3-5-7-11(10)16-12/h2-9H2,1H3,(H,13,14).
What are the key properties of N-(2-methoxyethyl)-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine?
N-(2-methoxyethyl)-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine has a molecular weight of 240.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-amine is sourced from PubChem (CID 62942560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).