4,4-dimethyl-N-propan-2-yl-1,3-thiazolidin-2-imine

C8H16N2S — CID 135934525

IUPAC4,4-dimethyl-N-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCC(C)/N=C1/NC(C)(C)CS1
InChIInChI=1S/C8H16N2S/c1-6(2)9-7-10-8(3,4)5-11-7/h6H,5H2,1-4H3,(H,9,10)
InChIKeyRYZUJAUMNNSHDC-UHFFFAOYSA-N
MW172.30 g/mol
LogP1.87
Rot. Bonds1

About 4,4-dimethyl-N-propan-2-yl-1,3-thiazolidin-2-imine

4,4-dimethyl-N-propan-2-yl-1,3-thiazolidin-2-imine (PubChem CID 135934525) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is 4,4-dimethyl-N-propan-2-yl-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name4,4-dimethyl-N-propan-2-yl-1,3-thiazolidin-2-imine
PubChem CID135934525
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name4,4-dimethyl-N-propan-2-yl-1,3-thiazolidin-2-imine
SMILESCC(C)/N=C1/NC(C)(C)CS1
InChIInChI=1S/C8H16N2S/c1-6(2)9-7-10-8(3,4)5-11-7/h6H,5H2,1-4H3,(H,9,10)
InChIKeyRYZUJAUMNNSHDC-UHFFFAOYSA-N
XLogP1.87
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-4,4-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 135418933
4,4-dimethyl-N-(5-methylhexan-2-yl)-1,3-thiazolidin-2-imine
CID 136015445
2-[(4,4-dimethyl-1,3-thiazolidin-2-ylidene)amino]-N-ethyl-N-methylethanamine
CID 136195661
4,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazolidin-2-imine
CID 135934611
4,4-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazolidin-2-imine
CID 136212098
4,4-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-1,3-thiazolidin-2-imine
CID 136819427
4,4-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazolidin-2-imine
CID 136842361
4-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine
CID 136857925
4,4-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine
CID 136857926
4,4-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-thiazolidin-2-imine
CID 136952787
N-(2,2-difluoroethyl)-4,4-dimethyl-1,3-thiazolidin-2-imine
CID 136994884
4,4-diethyl-N-(4,4,4-trifluorobutan-2-yl)-1,3-thiazolidin-2-imine
CID 136999779

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-propan-2-yl-1,3-thiazolidin-2-imine?
The IUPAC name of 4,4-dimethyl-N-propan-2-yl-1,3-thiazolidin-2-imine (CID 135934525) is 4,4-dimethyl-N-propan-2-yl-1,3-thiazolidin-2-imine.
What is the SMILES notation for 4,4-dimethyl-N-propan-2-yl-1,3-thiazolidin-2-imine?
The canonical SMILES for 4,4-dimethyl-N-propan-2-yl-1,3-thiazolidin-2-imine is CC(C)/N=C1/NC(C)(C)CS1.
What is the InChIKey of 4,4-dimethyl-N-propan-2-yl-1,3-thiazolidin-2-imine?
The InChIKey is RYZUJAUMNNSHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2S/c1-6(2)9-7-10-8(3,4)5-11-7/h6H,5H2,1-4H3,(H,9,10).
What are the key properties of 4,4-dimethyl-N-propan-2-yl-1,3-thiazolidin-2-imine?
4,4-dimethyl-N-propan-2-yl-1,3-thiazolidin-2-imine has a molecular weight of 172.30 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-propan-2-yl-1,3-thiazolidin-2-imine is sourced from PubChem (CID 135934525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).