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

C9H15NS — CID 144930817

IUPAC5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
SMILESC/C=C\C1=C(CC)SC(C)N1
InChIInChI=1S/C9H15NS/c1-4-6-8-9(5-2)11-7(3)10-8/h4,6-7,10H,5H2,1-3H3/b6-4-
InChIKeyAZCJICSBUPUYJQ-XQRVVYSFSA-N
MW169.29 g/mol
LogP2.87
Rot. Bonds2

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

5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole (PubChem CID 144930817) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
PubChem CID144930817
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
SMILESC/C=C\C1=C(CC)SC(C)N1
InChIInChI=1S/C9H15NS/c1-4-6-8-9(5-2)11-7(3)10-8/h4,6-7,10H,5H2,1-3H3/b6-4-
InChIKeyAZCJICSBUPUYJQ-XQRVVYSFSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(Z)-N-[1-(trimethyl-lambda4-sulfanyl)but-3-en-2-yl]pent-2-en-2-amine
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ethane;2-methyl-3,4,7,8-tetrahydro-2H-cyclohepta[d][1,3]thiazole
CID 142256802
(2R,4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazolidine
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5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole?
The IUPAC name of 5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole (CID 144930817) is 5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole is C/C=C\C1=C(CC)SC(C)N1.
What is the InChIKey of 5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole?
The InChIKey is AZCJICSBUPUYJQ-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H15NS/c1-4-6-8-9(5-2)11-7(3)10-8/h4,6-7,10H,5H2,1-3H3/b6-4-.
What are the key properties of 5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole?
5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole has a molecular weight of 169.29 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 144930817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).