4-(difluoromethyl)-2-propan-2-yl-1,3-thiazole

C7H9F2NS — CID 126988441

IUPAC4-(difluoromethyl)-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(C(F)F)cs1
InChIInChI=1S/C7H9F2NS/c1-4(2)7-10-5(3-11-7)6(8)9/h3-4,6H,1-2H3
InChIKeyYCVSNRYXDVSEHY-UHFFFAOYSA-N
MW177.22 g/mol
LogP3.20
Rot. Bonds2

About 4-(difluoromethyl)-2-propan-2-yl-1,3-thiazole

4-(difluoromethyl)-2-propan-2-yl-1,3-thiazole (PubChem CID 126988441) has the molecular formula C7H9F2NS and a molecular weight of 177.22 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(difluoromethyl)-2-propan-2-yl-1,3-thiazole
PubChem CID126988441
Molecular FormulaC7H9F2NS
Molecular Weight177.22 g/mol
Exact Mass177.04
IUPAC Name4-(difluoromethyl)-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1nc(C(F)F)cs1
InChIInChI=1S/C7H9F2NS/c1-4(2)7-10-5(3-11-7)6(8)9/h3-4,6H,1-2H3
InChIKeyYCVSNRYXDVSEHY-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-(difluoromethyl)-2-propan-2-yl-1,3-thiazole (CID 126988441) is 4-(difluoromethyl)-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(difluoromethyl)-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-(difluoromethyl)-2-propan-2-yl-1,3-thiazole is CC(C)c1nc(C(F)F)cs1.
What is the InChIKey of 4-(difluoromethyl)-2-propan-2-yl-1,3-thiazole?
The InChIKey is YCVSNRYXDVSEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NS/c1-4(2)7-10-5(3-11-7)6(8)9/h3-4,6H,1-2H3.
What are the key properties of 4-(difluoromethyl)-2-propan-2-yl-1,3-thiazole?
4-(difluoromethyl)-2-propan-2-yl-1,3-thiazole has a molecular weight of 177.22 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 126988441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).