2-methyl-1,3-thiazole-4-carbaldehyde;oxolane

C9H13NO2S — CID 158730051

IUPAC2-methyl-1,3-thiazole-4-carbaldehyde;oxolane
SMILESC1CCOC1.Cc1nc(C=O)cs1
InChIInChI=1S/C5H5NOS.C4H8O/c1-4-6-5(2-7)3-8-4;1-2-4-5-3-1/h2-3H,1H3;1-4H2
InChIKeyIKZCWBOWLNOQBS-UHFFFAOYSA-N
MW199.28 g/mol
LogP2.06
Rot. Bonds1

About 2-methyl-1,3-thiazole-4-carbaldehyde;oxolane

2-methyl-1,3-thiazole-4-carbaldehyde;oxolane (PubChem CID 158730051) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-methyl-1,3-thiazole-4-carbaldehyde;oxolane.

Molecular Properties

Compound Name2-methyl-1,3-thiazole-4-carbaldehyde;oxolane
PubChem CID158730051
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Name2-methyl-1,3-thiazole-4-carbaldehyde;oxolane
SMILESC1CCOC1.Cc1nc(C=O)cs1
InChIInChI=1S/C5H5NOS.C4H8O/c1-4-6-5(2-7)3-8-4;1-2-4-5-3-1/h2-3H,1H3;1-4H2
InChIKeyIKZCWBOWLNOQBS-UHFFFAOYSA-N
XLogP2.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carbaldehyde
CID 62800362
4-(2-chloroethenyl)-2-methyl-1,3-thiazole
CID 141028514
2-(1-methylcyclobutyl)-1,3-thiazole-4-carbaldehyde
CID 115015990
2-chloro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enal
CID 57124336
4-[[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]oxane-4-carboxylic acid
CID 115291414
3-methyl-4-(2-methyl-1,3-thiazol-4-yl)but-3-en-2-one
CID 71356711
(E)-N-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 79039607
(E)-2-methyl-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoic acid
CID 91864729
N-[(2-methyl-1,3-thiazol-4-yl)methylidene]hydroxylamine
CID 76872323
10,10,11,11-tetramethyl-7-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1,8-dioxacyclohexadec-4-ene-9,13-dione
CID 91360337
2-(2-methylcyclopropyl)-1,3-thiazole-4-carbaldehyde
CID 65420806
4-[(Z)-2-bromoprop-1-enyl]-2-methyl-1,3-thiazole
CID 177461796

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-thiazole-4-carbaldehyde;oxolane?
The IUPAC name of 2-methyl-1,3-thiazole-4-carbaldehyde;oxolane (CID 158730051) is 2-methyl-1,3-thiazole-4-carbaldehyde;oxolane.
What is the SMILES notation for 2-methyl-1,3-thiazole-4-carbaldehyde;oxolane?
The canonical SMILES for 2-methyl-1,3-thiazole-4-carbaldehyde;oxolane is C1CCOC1.Cc1nc(C=O)cs1.
What is the InChIKey of 2-methyl-1,3-thiazole-4-carbaldehyde;oxolane?
The InChIKey is IKZCWBOWLNOQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NOS.C4H8O/c1-4-6-5(2-7)3-8-4;1-2-4-5-3-1/h2-3H,1H3;1-4H2.
What are the key properties of 2-methyl-1,3-thiazole-4-carbaldehyde;oxolane?
2-methyl-1,3-thiazole-4-carbaldehyde;oxolane has a molecular weight of 199.28 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-thiazole-4-carbaldehyde;oxolane is sourced from PubChem (CID 158730051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).