5-chloro-2-propan-2-yl-1,3-thiazole;ethane

C8H14ClNS — CID 166088238

IUPAC5-chloro-2-propan-2-yl-1,3-thiazole;ethane
SMILESCC.CC(C)c1ncc(Cl)s1
InChIInChI=1S/C6H8ClNS.C2H6/c1-4(2)6-8-3-5(7)9-6;1-2/h3-4H,1-2H3;1-2H3
InChIKeyMCGMZGMSUUBFAJ-UHFFFAOYSA-N
MW191.73 g/mol
LogP3.95
Rot. Bonds1

About 5-chloro-2-propan-2-yl-1,3-thiazole;ethane

5-chloro-2-propan-2-yl-1,3-thiazole;ethane (PubChem CID 166088238) has the molecular formula C8H14ClNS and a molecular weight of 191.73 g/mol. Its IUPAC name is 5-chloro-2-propan-2-yl-1,3-thiazole;ethane.

Molecular Properties

Compound Name5-chloro-2-propan-2-yl-1,3-thiazole;ethane
PubChem CID166088238
Molecular FormulaC8H14ClNS
Molecular Weight191.73 g/mol
Exact Mass191.05
IUPAC Name5-chloro-2-propan-2-yl-1,3-thiazole;ethane
SMILESCC.CC(C)c1ncc(Cl)s1
InChIInChI=1S/C6H8ClNS.C2H6/c1-4(2)6-8-3-5(7)9-6;1-2/h3-4H,1-2H3;1-2H3
InChIKeyMCGMZGMSUUBFAJ-UHFFFAOYSA-N
XLogP3.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.73
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propan-2-yl-1,3-thiazole;ethane?
The IUPAC name of 5-chloro-2-propan-2-yl-1,3-thiazole;ethane (CID 166088238) is 5-chloro-2-propan-2-yl-1,3-thiazole;ethane.
What is the SMILES notation for 5-chloro-2-propan-2-yl-1,3-thiazole;ethane?
The canonical SMILES for 5-chloro-2-propan-2-yl-1,3-thiazole;ethane is CC.CC(C)c1ncc(Cl)s1.
What is the InChIKey of 5-chloro-2-propan-2-yl-1,3-thiazole;ethane?
The InChIKey is MCGMZGMSUUBFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNS.C2H6/c1-4(2)6-8-3-5(7)9-6;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of 5-chloro-2-propan-2-yl-1,3-thiazole;ethane?
5-chloro-2-propan-2-yl-1,3-thiazole;ethane has a molecular weight of 191.73 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-propan-2-yl-1,3-thiazole;ethane is sourced from PubChem (CID 166088238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).