(4,5-dimethyl-1,3-thiazol-2-yl)methyl formate

C7H9NO2S — CID 174806498

IUPAC(4,5-dimethyl-1,3-thiazol-2-yl)methyl formate
SMILESCc1nc(COC=O)sc1C
InChIInChI=1S/C7H9NO2S/c1-5-6(2)11-7(8-5)3-10-4-9/h4H,3H2,1-2H3
InChIKeyIEHXMWDLQFPODX-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.43
Rot. Bonds3

About (4,5-dimethyl-1,3-thiazol-2-yl)methyl formate

(4,5-dimethyl-1,3-thiazol-2-yl)methyl formate (PubChem CID 174806498) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is (4,5-dimethyl-1,3-thiazol-2-yl)methyl formate.

Molecular Properties

Compound Name(4,5-dimethyl-1,3-thiazol-2-yl)methyl formate
PubChem CID174806498
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name(4,5-dimethyl-1,3-thiazol-2-yl)methyl formate
SMILESCc1nc(COC=O)sc1C
InChIInChI=1S/C7H9NO2S/c1-5-6(2)11-7(8-5)3-10-4-9/h4H,3H2,1-2H3
InChIKeyIEHXMWDLQFPODX-UHFFFAOYSA-N
XLogP1.43
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.43
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

azane;2-ethyl-4,5-dimethyl-1,3-thiazole
CID 69061774
2-bromo-5-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzaldehyde
CID 81494161
1-(4,5-dimethyl-1,3-thiazol-2-yl)butan-2-one
CID 65168475
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-2-one
CID 65168530
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 178190269
4-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propoxy]benzaldehyde
CID 83967549
4,5-dimethyl-2-[(1-methylpyrazol-4-yl)oxymethyl]-1,3-thiazole
CID 115753041
(2-methyl-1,3-thiazol-5-yl)methyl formate
CID 87091610
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-2-methylbenzoic acid
CID 82827217
2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl dihydrogen phosphite
CID 143091465
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-one
CID 115687973
3-bromo-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 82110091

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1,3-thiazol-2-yl)methyl formate?
The IUPAC name of (4,5-dimethyl-1,3-thiazol-2-yl)methyl formate (CID 174806498) is (4,5-dimethyl-1,3-thiazol-2-yl)methyl formate.
What is the SMILES notation for (4,5-dimethyl-1,3-thiazol-2-yl)methyl formate?
The canonical SMILES for (4,5-dimethyl-1,3-thiazol-2-yl)methyl formate is Cc1nc(COC=O)sc1C.
What is the InChIKey of (4,5-dimethyl-1,3-thiazol-2-yl)methyl formate?
The InChIKey is IEHXMWDLQFPODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-5-6(2)11-7(8-5)3-10-4-9/h4H,3H2,1-2H3.
What are the key properties of (4,5-dimethyl-1,3-thiazol-2-yl)methyl formate?
(4,5-dimethyl-1,3-thiazol-2-yl)methyl formate has a molecular weight of 171.22 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1,3-thiazol-2-yl)methyl formate is sourced from PubChem (CID 174806498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).