4-tert-butyl-N-[(5-chlorothiophen-2-yl)methyl]-1,3-thiazinan-2-imine

C13H19ClN2S2 — CID 136993375

IUPAC4-tert-butyl-N-[(5-chlorothiophen-2-yl)methyl]-1,3-thiazinan-2-imine
SMILESCC(C)(C)C1CCS/C(=N\Cc2ccc(Cl)s2)N1
InChIInChI=1S/C13H19ClN2S2/c1-13(2,3)10-6-7-17-12(16-10)15-8-9-4-5-11(14)18-9/h4-5,10H,6-8H2,1-3H3,(H,15,16)
InChIKeyUWOUVXGODHAVDI-UHFFFAOYSA-N
MW302.90 g/mol
LogP4.40
Rot. Bonds2

About 4-tert-butyl-N-[(5-chlorothiophen-2-yl)methyl]-1,3-thiazinan-2-imine

4-tert-butyl-N-[(5-chlorothiophen-2-yl)methyl]-1,3-thiazinan-2-imine (PubChem CID 136993375) has the molecular formula C13H19ClN2S2 and a molecular weight of 302.90 g/mol. Its IUPAC name is 4-tert-butyl-N-[(5-chlorothiophen-2-yl)methyl]-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-tert-butyl-N-[(5-chlorothiophen-2-yl)methyl]-1,3-thiazinan-2-imine
PubChem CID136993375
Molecular FormulaC13H19ClN2S2
Molecular Weight302.90 g/mol
Exact Mass302.07
IUPAC Name4-tert-butyl-N-[(5-chlorothiophen-2-yl)methyl]-1,3-thiazinan-2-imine
SMILESCC(C)(C)C1CCS/C(=N\Cc2ccc(Cl)s2)N1
InChIInChI=1S/C13H19ClN2S2/c1-13(2,3)10-6-7-17-12(16-10)15-8-9-4-5-11(14)18-9/h4-5,10H,6-8H2,1-3H3,(H,15,16)
InChIKeyUWOUVXGODHAVDI-UHFFFAOYSA-N
XLogP4.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.90
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-N-[(5-chlorothiophen-2-yl)methyl]-1,3-thiazinan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871812
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848598
4-tert-butyl-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazinan-2-imine
CID 136848612
4-tert-butyl-N-[(1-ethylcyclobutyl)methyl]-1,3-thiazinan-2-imine
CID 136993429
4-tert-butyl-N-(3-morpholin-4-ylpropyl)-1,3-thiazinan-2-imine
CID 136848061
4-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazinan-2-imine
CID 136848574
[4-tert-butyl-2-[(5-chlorothiophen-2-yl)methyl]cyclohexyl]methanamine
CID 81011481
1-(4-tert-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 65402113
2-chloro-5-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene
CID 83150937
1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine
CID 63891076
4-[2-(5-chlorothiophen-2-yl)ethyl]piperidine
CID 83487153
1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
CID 170888362

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(5-chlorothiophen-2-yl)methyl]-1,3-thiazinan-2-imine?
The IUPAC name of 4-tert-butyl-N-[(5-chlorothiophen-2-yl)methyl]-1,3-thiazinan-2-imine (CID 136993375) is 4-tert-butyl-N-[(5-chlorothiophen-2-yl)methyl]-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-tert-butyl-N-[(5-chlorothiophen-2-yl)methyl]-1,3-thiazinan-2-imine?
The canonical SMILES for 4-tert-butyl-N-[(5-chlorothiophen-2-yl)methyl]-1,3-thiazinan-2-imine is CC(C)(C)C1CCS/C(=N\Cc2ccc(Cl)s2)N1.
What is the InChIKey of 4-tert-butyl-N-[(5-chlorothiophen-2-yl)methyl]-1,3-thiazinan-2-imine?
The InChIKey is UWOUVXGODHAVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2S2/c1-13(2,3)10-6-7-17-12(16-10)15-8-9-4-5-11(14)18-9/h4-5,10H,6-8H2,1-3H3,(H,15,16).
What are the key properties of 4-tert-butyl-N-[(5-chlorothiophen-2-yl)methyl]-1,3-thiazinan-2-imine?
4-tert-butyl-N-[(5-chlorothiophen-2-yl)methyl]-1,3-thiazinan-2-imine has a molecular weight of 302.90 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(5-chlorothiophen-2-yl)methyl]-1,3-thiazinan-2-imine is sourced from PubChem (CID 136993375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).