ethane;4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-3H-1,3-thiazol-2-one

C11H17NOS — CID 177320386

IUPACethane;4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-3H-1,3-thiazol-2-one
SMILESC=C(C)c1sc(=O)[nH]c1/C=C\C.CC
InChIInChI=1S/C9H11NOS.C2H6/c1-4-5-7-8(6(2)3)12-9(11)10-7;1-2/h4-5H,2H2,1,3H3,(H,10,11);1-2H3/b5-4-;
InChIKeyUPMRBMMATYQYGB-MKWAYWHRSA-N
MW211.33 g/mol
LogP3.53
Rot. Bonds2

About ethane;4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-3H-1,3-thiazol-2-one

ethane;4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-3H-1,3-thiazol-2-one (PubChem CID 177320386) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is ethane;4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Nameethane;4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-3H-1,3-thiazol-2-one
PubChem CID177320386
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Nameethane;4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-3H-1,3-thiazol-2-one
SMILESC=C(C)c1sc(=O)[nH]c1/C=C\C.CC
InChIInChI=1S/C9H11NOS.C2H6/c1-4-5-7-8(6(2)3)12-9(11)10-7;1-2/h4-5H,2H2,1,3H3,(H,10,11);1-2H3/b5-4-;
InChIKeyUPMRBMMATYQYGB-MKWAYWHRSA-N
XLogP3.53
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(Z)-prop-1-enyl]-4-prop-1-en-2-yl-1H-pyrazole
CID 155741579
4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dihydroimidazol-2-one
CID 130247435
3,4-dimethyl-2,5-bis(prop-1-en-2-yl)thiophene
CID 58586605
4-methyl-5-prop-1-en-2-yl-3H-1,3-thiazole-2-thione
CID 163969816
4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one;ethane
CID 142057788
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849
4,5-dimethyl-3H-1,3-thiazol-2-one;ethane
CID 143431623
ethane;ethene;(3Z)-2-methylpenta-1,3-diene
CID 143006667
5-prop-1-enyl-1H-imidazole-2,4-diamine
CID 175031592
4,5-bis[(Z)-prop-1-enyl]-3H-1,3-oxazol-2-one
CID 142057789
but-2-ene;ethane;pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 145379100

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-3H-1,3-thiazol-2-one?
The IUPAC name of ethane;4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-3H-1,3-thiazol-2-one (CID 177320386) is ethane;4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-3H-1,3-thiazol-2-one.
What is the SMILES notation for ethane;4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-3H-1,3-thiazol-2-one?
The canonical SMILES for ethane;4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-3H-1,3-thiazol-2-one is C=C(C)c1sc(=O)[nH]c1/C=C\C.CC.
What is the InChIKey of ethane;4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-3H-1,3-thiazol-2-one?
The InChIKey is UPMRBMMATYQYGB-MKWAYWHRSA-N. The full InChI is InChI=1S/C9H11NOS.C2H6/c1-4-5-7-8(6(2)3)12-9(11)10-7;1-2/h4-5H,2H2,1,3H3,(H,10,11);1-2H3/b5-4-;.
What are the key properties of ethane;4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-3H-1,3-thiazol-2-one?
ethane;4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-3H-1,3-thiazol-2-one has a molecular weight of 211.33 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(Z)-prop-1-enyl]-5-prop-1-en-2-yl-3H-1,3-thiazol-2-one is sourced from PubChem (CID 177320386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).