N,3,7-trimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine

C11H20N2S — CID 155448831

IUPACN,3,7-trimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine
SMILESC/N=C1\SC2CC(C)CCCC2N1C
InChIInChI=1S/C11H20N2S/c1-8-5-4-6-9-10(7-8)14-11(12-2)13(9)3/h8-10H,4-7H2,1-3H3/b12-11-
InChIKeyJWISIEWEHDVYKM-QXMHVHEDSA-N
MW212.36 g/mol
LogP2.60
Rot. Bonds

About N,3,7-trimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine

N,3,7-trimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine (PubChem CID 155448831) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N,3,7-trimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine.

Molecular Properties

Compound NameN,3,7-trimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine
PubChem CID155448831
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN,3,7-trimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine
SMILESC/N=C1\SC2CC(C)CCCC2N1C
InChIInChI=1S/C11H20N2S/c1-8-5-4-6-9-10(7-8)14-11(12-2)13(9)3/h8-10H,4-7H2,1-3H3/b12-11-
InChIKeyJWISIEWEHDVYKM-QXMHVHEDSA-N
XLogP2.60
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N,3,7-trimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine with MolForge

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Related Compounds

(1R,8S)-3-methylsulfanyl-2,4-diazatricyclo[6.5.0.02,6]tridec-3-ene
CID 59465315
ethane;(1R,8S)-3-methylsulfanyl-2,4-diazatricyclo[6.5.0.02,6]tridec-3-ene
CID 90742058
N,3-dimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine
CID 147739956
CID 149337561
CID 149337561
8-methyl-N,3-di(propan-2-yl)-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]thiazol-2-imine
CID 167191017
11-methyl-N,3-di(propan-2-yl)-4,5,6,7,8,9,10,11,12,12a-decahydro-3aH-cycloundeca[d][1,3]thiazol-2-imine
CID 169698041
CID 173890807
CID 173890807
4-ethyl-N-(2-methylcycloheptyl)-1,3-thiazolidin-2-imine
CID 136277601
N-(2-methylcycloheptyl)-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 136277604

Frequently Asked Questions

What is the IUPAC name of N,3,7-trimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine?
The IUPAC name of N,3,7-trimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine (CID 155448831) is N,3,7-trimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine.
What is the SMILES notation for N,3,7-trimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine?
The canonical SMILES for N,3,7-trimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine is C/N=C1\SC2CC(C)CCCC2N1C.
What is the InChIKey of N,3,7-trimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine?
The InChIKey is JWISIEWEHDVYKM-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H20N2S/c1-8-5-4-6-9-10(7-8)14-11(12-2)13(9)3/h8-10H,4-7H2,1-3H3/b12-11-.
What are the key properties of N,3,7-trimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine?
N,3,7-trimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine has a molecular weight of 212.36 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,7-trimethyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]thiazol-2-imine is sourced from PubChem (CID 155448831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).