5-(difluoromethyl)-2-methyl-1,3-thiazole

C5H5F2NS — CID 76529726

IUPAC5-(difluoromethyl)-2-methyl-1,3-thiazole
SMILESCc1ncc(C(F)F)s1
InChIInChI=1S/C5H5F2NS/c1-3-8-2-4(9-3)5(6)7/h2,5H,1H3
InChIKeyXRESDKNYRZYJHD-UHFFFAOYSA-N
MW149.16 g/mol
LogP2.39
Rot. Bonds1

About 5-(difluoromethyl)-2-methyl-1,3-thiazole

5-(difluoromethyl)-2-methyl-1,3-thiazole (PubChem CID 76529726) has the molecular formula C5H5F2NS and a molecular weight of 149.16 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(difluoromethyl)-2-methyl-1,3-thiazole
PubChem CID76529726
Molecular FormulaC5H5F2NS
Molecular Weight149.16 g/mol
Exact Mass149.01
IUPAC Name5-(difluoromethyl)-2-methyl-1,3-thiazole
SMILESCc1ncc(C(F)F)s1
InChIInChI=1S/C5H5F2NS/c1-3-8-2-4(9-3)5(6)7/h2,5H,1H3
InChIKeyXRESDKNYRZYJHD-UHFFFAOYSA-N
XLogP2.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethyl-2-methylthiazole
CID 519732
2,5-Dimethylthiazole
CID 77837
2,5-Diethylthiazole
CID 85073
5-Methyl-2-pentylthiazole
CID 55296073
5-Methylthiazole
CID 137980
2-Bromo-5-methyl-1,3-thiazole
CID 21906106
2-Ethyl-5-methylthiazole
CID 519733
(1,3-Thiazol-5-yl)methanethiol
CID 4713119
2-Chloro-5-methyl-1,3-thiazole
CID 10997083
5-(Trifluoromethyl)-1,3-thiazole
CID 21750335
2-Methylthiazole-5-carbonitrile
CID 53407634
2-Butyl-5-methylthiazole
CID 574900

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-methyl-1,3-thiazole?
The IUPAC name of 5-(difluoromethyl)-2-methyl-1,3-thiazole (CID 76529726) is 5-(difluoromethyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(difluoromethyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(difluoromethyl)-2-methyl-1,3-thiazole is Cc1ncc(C(F)F)s1.
What is the InChIKey of 5-(difluoromethyl)-2-methyl-1,3-thiazole?
The InChIKey is XRESDKNYRZYJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2NS/c1-3-8-2-4(9-3)5(6)7/h2,5H,1H3.
What are the key properties of 5-(difluoromethyl)-2-methyl-1,3-thiazole?
5-(difluoromethyl)-2-methyl-1,3-thiazole has a molecular weight of 149.16 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 76529726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).