4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

C9H13NS — CID 58125194

IUPAC4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCC(C)C1CCc2scnc21
InChIInChI=1S/C9H13NS/c1-6(2)7-3-4-8-9(7)10-5-11-8/h5-7H,3-4H2,1-2H3
InChIKeyNSMWPSRSVGVSEG-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.83
Rot. Bonds1

About 4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (PubChem CID 58125194) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
PubChem CID58125194
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCC(C)C1CCc2scnc21
InChIInChI=1S/C9H13NS/c1-6(2)7-3-4-8-9(7)10-5-11-8/h5-7H,3-4H2,1-2H3
InChIKeyNSMWPSRSVGVSEG-UHFFFAOYSA-N
XLogP2.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (CID 58125194) is 4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is CC(C)C1CCc2scnc21.
What is the InChIKey of 4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The InChIKey is NSMWPSRSVGVSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-6(2)7-3-4-8-9(7)10-5-11-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole has a molecular weight of 167.28 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 58125194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).