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

C7H9F2NS — CID 170413806

IUPAC5-(1,1-difluoropropyl)-2-methyl-1,3-thiazole
SMILESCCC(F)(F)c1cnc(C)s1
InChIInChI=1S/C7H9F2NS/c1-3-7(8,9)6-4-10-5(2)11-6/h4H,3H2,1-2H3
InChIKeyUREWHEJAVPWDPE-UHFFFAOYSA-N
MW177.22 g/mol
LogP2.95
Rot. Bonds2

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

5-(1,1-difluoropropyl)-2-methyl-1,3-thiazole (PubChem CID 170413806) has the molecular formula C7H9F2NS and a molecular weight of 177.22 g/mol. Its IUPAC name is 5-(1,1-difluoropropyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(1,1-difluoropropyl)-2-methyl-1,3-thiazole
PubChem CID170413806
Molecular FormulaC7H9F2NS
Molecular Weight177.22 g/mol
Exact Mass177.04
IUPAC Name5-(1,1-difluoropropyl)-2-methyl-1,3-thiazole
SMILESCCC(F)(F)c1cnc(C)s1
InChIInChI=1S/C7H9F2NS/c1-3-7(8,9)6-4-10-5(2)11-6/h4H,3H2,1-2H3
InChIKeyUREWHEJAVPWDPE-UHFFFAOYSA-N
XLogP2.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethyl-2-methylthiazole
CID 519732
2,5-Diethylthiazole
CID 85073
2-Bromo-5-(1,1-difluoroethyl)-1,3-thiazole
CID 84792019
2,5-Dipropylthiazole
CID 588151
2-Butyl-5-methylthiazole
CID 574900
Thiazole, 5-propyl-
CID 40379
2-Chloro-5-(1,1-difluoroethyl)-1,3-thiazole
CID 155822051
2-(Bromomethyl)-5-(1,1-difluoroethyl)-1,3-thiazole
CID 166088000
2-Methyl-5-propylthiazole
CID 574547
5-Methyl-2-(4,5,5-trifluoropent-4-enyl)-1,3-thiazole
CID 20725638
5-Ethyl-2-fluoro-1,3-thiazole
CID 21030403
5-(2,2-Difluoroethyl)-2-methyl-1,3-thiazole
CID 53861365

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoropropyl)-2-methyl-1,3-thiazole?
The IUPAC name of 5-(1,1-difluoropropyl)-2-methyl-1,3-thiazole (CID 170413806) is 5-(1,1-difluoropropyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(1,1-difluoropropyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(1,1-difluoropropyl)-2-methyl-1,3-thiazole is CCC(F)(F)c1cnc(C)s1.
What is the InChIKey of 5-(1,1-difluoropropyl)-2-methyl-1,3-thiazole?
The InChIKey is UREWHEJAVPWDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NS/c1-3-7(8,9)6-4-10-5(2)11-6/h4H,3H2,1-2H3.
What are the key properties of 5-(1,1-difluoropropyl)-2-methyl-1,3-thiazole?
5-(1,1-difluoropropyl)-2-methyl-1,3-thiazole has a molecular weight of 177.22 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoropropyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 170413806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).