2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(difluoromethyl)imidazol-2-yl]-1,3-thiazole

C12H7Cl2F2N5S — CID 170633067

IUPAC2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(difluoromethyl)imidazol-2-yl]-1,3-thiazole
SMILESFC(F)c1cn(Cc2ncc(Cl)cn2)c(-c2cnc(Cl)s2)n1
InChIInChI=1S/C12H7Cl2F2N5S/c13-6-1-17-9(18-2-6)5-21-4-7(10(15)16)20-11(21)8-3-19-12(14)22-8/h1-4,10H,5H2
InChIKeyDJPGOVQQTGSWSU-UHFFFAOYSA-N
MW362.19 g/mol
LogP4.09
Rot. Bonds4

About 2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(difluoromethyl)imidazol-2-yl]-1,3-thiazole

2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(difluoromethyl)imidazol-2-yl]-1,3-thiazole (PubChem CID 170633067) has the molecular formula C12H7Cl2F2N5S and a molecular weight of 362.19 g/mol. Its IUPAC name is 2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(difluoromethyl)imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(difluoromethyl)imidazol-2-yl]-1,3-thiazole
PubChem CID170633067
Molecular FormulaC12H7Cl2F2N5S
Molecular Weight362.19 g/mol
Exact Mass360.98
IUPAC Name2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(difluoromethyl)imidazol-2-yl]-1,3-thiazole
SMILESFC(F)c1cn(Cc2ncc(Cl)cn2)c(-c2cnc(Cl)s2)n1
InChIInChI=1S/C12H7Cl2F2N5S/c13-6-1-17-9(18-2-6)5-21-4-7(10(15)16)20-11(21)8-3-19-12(14)22-8/h1-4,10H,5H2
InChIKeyDJPGOVQQTGSWSU-UHFFFAOYSA-N
XLogP4.09
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.19
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(difluoromethyl)imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(difluoromethyl)imidazol-2-yl]-1,3-thiazole (CID 170633067) is 2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(difluoromethyl)imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(difluoromethyl)imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(difluoromethyl)imidazol-2-yl]-1,3-thiazole is FC(F)c1cn(Cc2ncc(Cl)cn2)c(-c2cnc(Cl)s2)n1.
What is the InChIKey of 2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(difluoromethyl)imidazol-2-yl]-1,3-thiazole?
The InChIKey is DJPGOVQQTGSWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F2N5S/c13-6-1-17-9(18-2-6)5-21-4-7(10(15)16)20-11(21)8-3-19-12(14)22-8/h1-4,10H,5H2.
What are the key properties of 2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(difluoromethyl)imidazol-2-yl]-1,3-thiazole?
2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(difluoromethyl)imidazol-2-yl]-1,3-thiazole has a molecular weight of 362.19 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(difluoromethyl)imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 170633067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).