4-bromo-2-[[1-(difluoromethyl)-3-ethylpyrazol-4-yl]methyl]-1,3-thiazole

C10H10BrF2N3S — CID 171763230

IUPAC4-bromo-2-[[1-(difluoromethyl)-3-ethylpyrazol-4-yl]methyl]-1,3-thiazole
SMILESCCc1nn(C(F)F)cc1Cc1nc(Br)cs1
InChIInChI=1S/C10H10BrF2N3S/c1-2-7-6(4-16(15-7)10(12)13)3-9-14-8(11)5-17-9/h4-5,10H,2-3H2,1H3
InChIKeyFEQCQTGKRHTAGP-UHFFFAOYSA-N
MW322.18 g/mol
LogP3.65
Rot. Bonds4

About 4-bromo-2-[[1-(difluoromethyl)-3-ethylpyrazol-4-yl]methyl]-1,3-thiazole

4-bromo-2-[[1-(difluoromethyl)-3-ethylpyrazol-4-yl]methyl]-1,3-thiazole (PubChem CID 171763230) has the molecular formula C10H10BrF2N3S and a molecular weight of 322.18 g/mol. Its IUPAC name is 4-bromo-2-[[1-(difluoromethyl)-3-ethylpyrazol-4-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-[[1-(difluoromethyl)-3-ethylpyrazol-4-yl]methyl]-1,3-thiazole
PubChem CID171763230
Molecular FormulaC10H10BrF2N3S
Molecular Weight322.18 g/mol
Exact Mass320.97
IUPAC Name4-bromo-2-[[1-(difluoromethyl)-3-ethylpyrazol-4-yl]methyl]-1,3-thiazole
SMILESCCc1nn(C(F)F)cc1Cc1nc(Br)cs1
InChIInChI=1S/C10H10BrF2N3S/c1-2-7-6(4-16(15-7)10(12)13)3-9-14-8(11)5-17-9/h4-5,10H,2-3H2,1H3
InChIKeyFEQCQTGKRHTAGP-UHFFFAOYSA-N
XLogP3.65
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-2-[[1-(difluoromethyl)-3-ethylpyrazol-4-yl]methyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[1-(difluoromethyl)-3-ethylpyrazol-4-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-bromo-2-[[1-(difluoromethyl)-3-ethylpyrazol-4-yl]methyl]-1,3-thiazole (CID 171763230) is 4-bromo-2-[[1-(difluoromethyl)-3-ethylpyrazol-4-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-[[1-(difluoromethyl)-3-ethylpyrazol-4-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-bromo-2-[[1-(difluoromethyl)-3-ethylpyrazol-4-yl]methyl]-1,3-thiazole is CCc1nn(C(F)F)cc1Cc1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-[[1-(difluoromethyl)-3-ethylpyrazol-4-yl]methyl]-1,3-thiazole?
The InChIKey is FEQCQTGKRHTAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2N3S/c1-2-7-6(4-16(15-7)10(12)13)3-9-14-8(11)5-17-9/h4-5,10H,2-3H2,1H3.
What are the key properties of 4-bromo-2-[[1-(difluoromethyl)-3-ethylpyrazol-4-yl]methyl]-1,3-thiazole?
4-bromo-2-[[1-(difluoromethyl)-3-ethylpyrazol-4-yl]methyl]-1,3-thiazole has a molecular weight of 322.18 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[1-(difluoromethyl)-3-ethylpyrazol-4-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 171763230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).