4-chloro-5-propan-2-yl-1,3-thiazole

C6H8ClNS — CID 91217277

IUPAC4-chloro-5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1scnc1Cl
InChIInChI=1S/C6H8ClNS/c1-4(2)5-6(7)8-3-9-5/h3-4H,1-2H3
InChIKeyVTXOYWASQUIQJA-UHFFFAOYSA-N
MW161.66 g/mol
LogP2.92
Rot. Bonds1

About 4-chloro-5-propan-2-yl-1,3-thiazole

4-chloro-5-propan-2-yl-1,3-thiazole (PubChem CID 91217277) has the molecular formula C6H8ClNS and a molecular weight of 161.66 g/mol. Its IUPAC name is 4-chloro-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-5-propan-2-yl-1,3-thiazole
PubChem CID91217277
Molecular FormulaC6H8ClNS
Molecular Weight161.66 g/mol
Exact Mass161.01
IUPAC Name4-chloro-5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1scnc1Cl
InChIInChI=1S/C6H8ClNS/c1-4(2)5-6(7)8-3-9-5/h3-4H,1-2H3
InChIKeyVTXOYWASQUIQJA-UHFFFAOYSA-N
XLogP2.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.66
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-chloro-5-propan-2-yl-1,3-thiazole (CID 91217277) is 4-chloro-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-chloro-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-chloro-5-propan-2-yl-1,3-thiazole is CC(C)c1scnc1Cl.
What is the InChIKey of 4-chloro-5-propan-2-yl-1,3-thiazole?
The InChIKey is VTXOYWASQUIQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNS/c1-4(2)5-6(7)8-3-9-5/h3-4H,1-2H3.
What are the key properties of 4-chloro-5-propan-2-yl-1,3-thiazole?
4-chloro-5-propan-2-yl-1,3-thiazole has a molecular weight of 161.66 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 91217277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).