4,6-dihydrocyclopenta[d][1,3]thiazol-5-imine

C6H6N2S — CID 91419518

IUPAC4,6-dihydrocyclopenta[d][1,3]thiazol-5-imine
SMILES[H]/N=C1\Cc2ncsc2C1
InChIInChI=1S/C6H6N2S/c7-4-1-5-6(2-4)9-3-8-5/h3,7H,1-2H2/b7-4+
InChIKeyVTOAVBFRRXQOFE-QPJJXVBHSA-N
MW138.20 g/mol
LogP1.26
Rot. Bonds

About 4,6-dihydrocyclopenta[d][1,3]thiazol-5-imine

4,6-dihydrocyclopenta[d][1,3]thiazol-5-imine (PubChem CID 91419518) has the molecular formula C6H6N2S and a molecular weight of 138.20 g/mol. Its IUPAC name is 4,6-dihydrocyclopenta[d][1,3]thiazol-5-imine.

Molecular Properties

Compound Name4,6-dihydrocyclopenta[d][1,3]thiazol-5-imine
PubChem CID91419518
Molecular FormulaC6H6N2S
Molecular Weight138.20 g/mol
Exact Mass138.03
IUPAC Name4,6-dihydrocyclopenta[d][1,3]thiazol-5-imine
SMILES[H]/N=C1\Cc2ncsc2C1
InChIInChI=1S/C6H6N2S/c7-4-1-5-6(2-4)9-3-8-5/h3,7H,1-2H2/b7-4+
InChIKeyVTOAVBFRRXQOFE-QPJJXVBHSA-N
XLogP1.26
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.20
LogP ≤ 51.26
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

4-Ethyl-5-propylthiazole
CID 93597
4H,5H,6H-cyclopenta[d][1,3]thiazole
CID 580614
2-bromo-4H,5H,6H-cyclopenta[d][1,3]thiazole
CID 9942463
2-methyl-4H,5H,6H-cyclopenta(d)(1,3)thiazole
CID 21529489
c-6-Thiazole
CID 597461
4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 68395142
2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine
CID 24274467
(6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
CID 105435123
3-Fluoro-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 165612221
2,2-Difluoro-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 165634555
4-Methyl-5-propyl-1,3-thiazole
CID 207276
2-Chloro-5,6-dihydro-4H-cyclopenta[d]thiazole
CID 9812845

Frequently Asked Questions

What is the IUPAC name of 4,6-dihydrocyclopenta[d][1,3]thiazol-5-imine?
The IUPAC name of 4,6-dihydrocyclopenta[d][1,3]thiazol-5-imine (CID 91419518) is 4,6-dihydrocyclopenta[d][1,3]thiazol-5-imine.
What is the SMILES notation for 4,6-dihydrocyclopenta[d][1,3]thiazol-5-imine?
The canonical SMILES for 4,6-dihydrocyclopenta[d][1,3]thiazol-5-imine is [H]/N=C1\Cc2ncsc2C1.
What is the InChIKey of 4,6-dihydrocyclopenta[d][1,3]thiazol-5-imine?
The InChIKey is VTOAVBFRRXQOFE-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H6N2S/c7-4-1-5-6(2-4)9-3-8-5/h3,7H,1-2H2/b7-4+.
What are the key properties of 4,6-dihydrocyclopenta[d][1,3]thiazol-5-imine?
4,6-dihydrocyclopenta[d][1,3]thiazol-5-imine has a molecular weight of 138.20 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihydrocyclopenta[d][1,3]thiazol-5-imine is sourced from PubChem (CID 91419518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).