5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole

C9H13NS — CID 142884232

IUPAC5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
SMILESC=CC1=C(/C=C\C)NC(C)S1
InChIInChI=1S/C9H13NS/c1-4-6-8-9(5-2)11-7(3)10-8/h4-7,10H,2H2,1,3H3/b6-4-
InChIKeyNRQHUAQMHRVNLH-XQRVVYSFSA-N
MW167.28 g/mol
LogP2.64
Rot. Bonds2

About 5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole

5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole (PubChem CID 142884232) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
PubChem CID142884232
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
SMILESC=CC1=C(/C=C\C)NC(C)S1
InChIInChI=1S/C9H13NS/c1-4-6-8-9(5-2)11-7(3)10-8/h4-7,10H,2H2,1,3H3/b6-4-
InChIKeyNRQHUAQMHRVNLH-XQRVVYSFSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole?
The IUPAC name of 5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole (CID 142884232) is 5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole is C=CC1=C(/C=C\C)NC(C)S1.
What is the InChIKey of 5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole?
The InChIKey is NRQHUAQMHRVNLH-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H13NS/c1-4-6-8-9(5-2)11-7(3)10-8/h4-7,10H,2H2,1,3H3/b6-4-.
What are the key properties of 5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole?
5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole has a molecular weight of 167.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 142884232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).