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

C10H19NS — CID 176938142

IUPACethane;5-ethyl-3-propan-2-yl-1,2-thiazole
SMILESCC.CCc1cc(C(C)C)ns1
InChIInChI=1S/C8H13NS.C2H6/c1-4-7-5-8(6(2)3)9-10-7;1-2/h5-6H,4H2,1-3H3;1-2H3
InChIKeyPPCAXQQEPIRVJB-UHFFFAOYSA-N
MW185.34 g/mol
LogP3.86
Rot. Bonds2

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

ethane;5-ethyl-3-propan-2-yl-1,2-thiazole (PubChem CID 176938142) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is ethane;5-ethyl-3-propan-2-yl-1,2-thiazole.

Molecular Properties

Compound Nameethane;5-ethyl-3-propan-2-yl-1,2-thiazole
PubChem CID176938142
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Nameethane;5-ethyl-3-propan-2-yl-1,2-thiazole
SMILESCC.CCc1cc(C(C)C)ns1
InChIInChI=1S/C8H13NS.C2H6/c1-4-7-5-8(6(2)3)9-10-7;1-2/h5-6H,4H2,1-3H3;1-2H3
InChIKeyPPCAXQQEPIRVJB-UHFFFAOYSA-N
XLogP3.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-Methylpropyl)-1,2-thiazol-5-amine
CID 21812876
3-Methyl-5-(2,2,2-trifluoroethyl)-1,2-thiazole
CID 53934803
5-(4,4-Difluorobut-3-enyl)-3-methyl-1,2-thiazole
CID 54261562
5-(2,2-Difluoroethyl)-3-methyl-1,2-thiazole
CID 54534912
3-Pentyl-5-(trifluoromethyl)-1,2-thiazole
CID 69942414
2-[(3-Tert-butyl-1,2-thiazol-5-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 89006359
5-Propan-2-yl-3-(trifluoromethyl)-1,2-thiazole
CID 118696671
5-(2-Fluoropropan-2-yl)-3-propan-2-yl-1,2-thiazole
CID 138536791
3-Ethyl-5-(2-fluoropropan-2-yl)-1,2-thiazole
CID 138538216
5-(2-Fluoropropan-2-yl)-3-methyl-1,2-thiazole
CID 138553626
3-Propan-2-yl-5-(trifluoromethyl)-1,2-thiazole
CID 166088307
5-Tert-butyl-3-(trifluoromethyl)-1,2-thiazole
CID 168743241

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-3-propan-2-yl-1,2-thiazole?
The IUPAC name of ethane;5-ethyl-3-propan-2-yl-1,2-thiazole (CID 176938142) is ethane;5-ethyl-3-propan-2-yl-1,2-thiazole.
What is the SMILES notation for ethane;5-ethyl-3-propan-2-yl-1,2-thiazole?
The canonical SMILES for ethane;5-ethyl-3-propan-2-yl-1,2-thiazole is CC.CCc1cc(C(C)C)ns1.
What is the InChIKey of ethane;5-ethyl-3-propan-2-yl-1,2-thiazole?
The InChIKey is PPCAXQQEPIRVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS.C2H6/c1-4-7-5-8(6(2)3)9-10-7;1-2/h5-6H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;5-ethyl-3-propan-2-yl-1,2-thiazole?
ethane;5-ethyl-3-propan-2-yl-1,2-thiazole has a molecular weight of 185.34 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-3-propan-2-yl-1,2-thiazole is sourced from PubChem (CID 176938142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).