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

C11H15ClN2S2 — CID 136871812

IUPACN-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCC(C)C1CS/C(=N\Cc2ccc(Cl)s2)N1
InChIInChI=1S/C11H15ClN2S2/c1-7(2)9-6-15-11(14-9)13-5-8-3-4-10(12)16-8/h3-4,7,9H,5-6H2,1-2H3,(H,13,14)
InChIKeyGTLALIFSQXMUFK-UHFFFAOYSA-N
MW274.84 g/mol
LogP3.62
Rot. Bonds3

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

N-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine (PubChem CID 136871812) has the molecular formula C11H15ClN2S2 and a molecular weight of 274.84 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
PubChem CID136871812
Molecular FormulaC11H15ClN2S2
Molecular Weight274.84 g/mol
Exact Mass274.04
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCC(C)C1CS/C(=N\Cc2ccc(Cl)s2)N1
InChIInChI=1S/C11H15ClN2S2/c1-7(2)9-6-15-11(14-9)13-5-8-3-4-10(12)16-8/h3-4,7,9H,5-6H2,1-2H3,(H,13,14)
InChIKeyGTLALIFSQXMUFK-UHFFFAOYSA-N
XLogP3.62
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 53.62
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-[2-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136848598
N-(furan-2-ylmethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871639
4-tert-butyl-N-[(5-chlorothiophen-2-yl)methyl]-1,3-thiazinan-2-imine
CID 136993375
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136690752
1-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 55186774
4-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-1,3-thiazolidin-2-imine
CID 136896936
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993437
N,N-dimethyl-2-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethoxy]ethanamine
CID 136896920
4-propan-2-yl-N-(2-quinolin-8-ylethyl)-1,3-thiazolidin-2-imine
CID 136871850
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871806
1-[(5-chlorothiophen-2-yl)methyl]-2,5-di(propan-2-yl)piperazine
CID 64838257
N-[(6-methyl-2-pyridinyl)methyl]-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993359

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine (CID 136871812) is N-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine is CC(C)C1CS/C(=N\Cc2ccc(Cl)s2)N1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine?
The InChIKey is GTLALIFSQXMUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2S2/c1-7(2)9-6-15-11(14-9)13-5-8-3-4-10(12)16-8/h3-4,7,9H,5-6H2,1-2H3,(H,13,14).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine?
N-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine has a molecular weight of 274.84 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 136871812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).