ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole

C15H31NS — CID 143077597

IUPACethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole
SMILESC/C=C\c1nc(C)sc1CC.CC.CC.CC
InChIInChI=1S/C9H13NS.3C2H6/c1-4-6-8-9(5-2)11-7(3)10-8;3*1-2/h4,6H,5H2,1-3H3;3*1-2H3/b6-4-;;;
InChIKeyZUEAEEQRWSTXHQ-UVOCCRBZSA-N
MW257.49 g/mol
LogP6.13
Rot. Bonds2

About ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole

ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole (PubChem CID 143077597) has the molecular formula C15H31NS and a molecular weight of 257.49 g/mol. Its IUPAC name is ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole.

Molecular Properties

Compound Nameethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole
PubChem CID143077597
Molecular FormulaC15H31NS
Molecular Weight257.49 g/mol
Exact Mass257.22
IUPAC Nameethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole
SMILESC/C=C\c1nc(C)sc1CC.CC.CC.CC
InChIInChI=1S/C9H13NS.3C2H6/c1-4-6-8-9(5-2)11-7(3)10-8;3*1-2/h4,6H,5H2,1-3H3;3*1-2H3/b6-4-;;;
InChIKeyZUEAEEQRWSTXHQ-UVOCCRBZSA-N
XLogP6.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.49
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole?
The IUPAC name of ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole (CID 143077597) is ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole.
What is the SMILES notation for ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole?
The canonical SMILES for ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole is C/C=C\c1nc(C)sc1CC.CC.CC.CC.
What is the InChIKey of ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole?
The InChIKey is ZUEAEEQRWSTXHQ-UVOCCRBZSA-N. The full InChI is InChI=1S/C9H13NS.3C2H6/c1-4-6-8-9(5-2)11-7(3)10-8;3*1-2/h4,6H,5H2,1-3H3;3*1-2H3/b6-4-;;;.
What are the key properties of ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole?
ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole has a molecular weight of 257.49 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-1,3-thiazole is sourced from PubChem (CID 143077597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).