N-[2-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine

C13H19ClN2S2 — CID 136848598

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCC(C)C1CCS/C(=N\CCc2ccc(Cl)s2)N1
InChIInChI=1S/C13H19ClN2S2/c1-9(2)11-6-8-17-13(16-11)15-7-5-10-3-4-12(14)18-10/h3-4,9,11H,5-8H2,1-2H3,(H,15,16)
InChIKeyCFAUCYCZFMCAIG-UHFFFAOYSA-N
MW302.90 g/mol
LogP4.05
Rot. Bonds4

About N-[2-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine

N-[2-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine (PubChem CID 136848598) has the molecular formula C13H19ClN2S2 and a molecular weight of 302.90 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine
PubChem CID136848598
Molecular FormulaC13H19ClN2S2
Molecular Weight302.90 g/mol
Exact Mass302.07
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine
SMILESCC(C)C1CCS/C(=N\CCc2ccc(Cl)s2)N1
InChIInChI=1S/C13H19ClN2S2/c1-9(2)11-6-8-17-13(16-11)15-7-5-10-3-4-12(14)18-10/h3-4,9,11H,5-8H2,1-2H3,(H,15,16)
InChIKeyCFAUCYCZFMCAIG-UHFFFAOYSA-N
XLogP4.05
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.90
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871812
N-(3-phenylbutyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848243
N-(2-cyclohexylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848107
4-tert-butyl-N-[(5-chlorothiophen-2-yl)methyl]-1,3-thiazinan-2-imine
CID 136993375
N,N-dimethyl-3-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]propanamide
CID 136848164
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(2-methylpropyl)-1,3-thiazolidin-2-imine
CID 137000560
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993437
N-(2-methoxy-2-methylpropyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848437
N'-[2-(5-chlorothiophen-2-yl)ethyl]cyclopropanecarboximidamide
CID 106043235
1-[(5-chlorothiophen-2-yl)methyl]-2,5-di(propan-2-yl)piperazine
CID 64838257
4-[2-(5-chlorothiophen-2-yl)ethyl]piperidine
CID 83487153
1-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 55186774

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine (CID 136848598) is N-[2-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine is CC(C)C1CCS/C(=N\CCc2ccc(Cl)s2)N1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
The InChIKey is CFAUCYCZFMCAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2S2/c1-9(2)11-6-8-17-13(16-11)15-7-5-10-3-4-12(14)18-10/h3-4,9,11H,5-8H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine has a molecular weight of 302.90 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136848598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).