benzene;3-prop-2-enyl-1,2-thiazole

C12H13NS — CID 174821842

IUPACbenzene;3-prop-2-enyl-1,2-thiazole
SMILESC=CCc1ccsn1.c1ccccc1
InChIInChI=1S/C6H7NS.C6H6/c1-2-3-6-4-5-8-7-6;1-2-4-6-5-3-1/h2,4-5H,1,3H2;1-6H
InChIKeyMQHQXQJFPJPINW-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.56
Rot. Bonds2

About benzene;3-prop-2-enyl-1,2-thiazole

benzene;3-prop-2-enyl-1,2-thiazole (PubChem CID 174821842) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is benzene;3-prop-2-enyl-1,2-thiazole.

Molecular Properties

Compound Namebenzene;3-prop-2-enyl-1,2-thiazole
PubChem CID174821842
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Namebenzene;3-prop-2-enyl-1,2-thiazole
SMILESC=CCc1ccsn1.c1ccccc1
InChIInChI=1S/C6H7NS.C6H6/c1-2-3-6-4-5-8-7-6;1-2-4-6-5-3-1/h2,4-5H,1,3H2;1-6H
InChIKeyMQHQXQJFPJPINW-UHFFFAOYSA-N
XLogP3.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Phenylisothiazole
CID 595044
4-Deuterio-3-phenyl-1,2-thiazole
CID 10583125
3-Hexa-3,5-dienyl-1,2-thiazole
CID 54188093
3-Benzyl-1,2-thiazole
CID 56993900
3-(2-Phenylethenyl)-1,2-thiazole
CID 69287769
Magnesium;3-phenyl-1,2-thiazole;bromide
CID 88839698
Ethane;3-methyl-1,2-thiazole;toluene
CID 90730574
3-Hexa-2,4-dien-3-yl-1,2-thiazole
CID 123403723
3-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,2-thiazole
CID 130253190
3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1,2-thiazole
CID 130253377
3-(Cyclopenten-1-yl)-1,2-thiazole
CID 140971456
3-(3-Phenylpropyl)-1,2-thiazole
CID 141014951

Frequently Asked Questions

What is the IUPAC name of benzene;3-prop-2-enyl-1,2-thiazole?
The IUPAC name of benzene;3-prop-2-enyl-1,2-thiazole (CID 174821842) is benzene;3-prop-2-enyl-1,2-thiazole.
What is the SMILES notation for benzene;3-prop-2-enyl-1,2-thiazole?
The canonical SMILES for benzene;3-prop-2-enyl-1,2-thiazole is C=CCc1ccsn1.c1ccccc1.
What is the InChIKey of benzene;3-prop-2-enyl-1,2-thiazole?
The InChIKey is MQHQXQJFPJPINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS.C6H6/c1-2-3-6-4-5-8-7-6;1-2-4-6-5-3-1/h2,4-5H,1,3H2;1-6H.
What are the key properties of benzene;3-prop-2-enyl-1,2-thiazole?
benzene;3-prop-2-enyl-1,2-thiazole has a molecular weight of 203.31 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;3-prop-2-enyl-1,2-thiazole is sourced from PubChem (CID 174821842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).