6-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide

C18H13ClF2N4O2S — CID 24626275

IUPAC6-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide
SMILESCc1nc(NC(=O)C2=Cc3cc(Cl)ccc3OC2)sc1-c1nccn1C(F)F
InChIInChI=1S/C18H13ClF2N4O2S/c1-9-14(15-22-4-5-25(15)17(20)21)28-18(23-9)24-16(26)11-6-10-7-12(19)2-3-13(10)27-8-11/h2-7,17H,8H2,1H3,(H,23,24,26)
InChIKeyYSMFWJSVQDOVOM-UHFFFAOYSA-N
MW422.84 g/mol
LogP4.78
Rot. Bonds4

About 6-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide

6-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide (PubChem CID 24626275) has the molecular formula C18H13ClF2N4O2S and a molecular weight of 422.84 g/mol. Its IUPAC name is 6-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide
PubChem CID24626275
Molecular FormulaC18H13ClF2N4O2S
Molecular Weight422.84 g/mol
Exact Mass422.04
IUPAC Name6-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide
SMILESCc1nc(NC(=O)C2=Cc3cc(Cl)ccc3OC2)sc1-c1nccn1C(F)F
InChIInChI=1S/C18H13ClF2N4O2S/c1-9-14(15-22-4-5-25(15)17(20)21)28-18(23-9)24-16(26)11-6-10-7-12(19)2-3-13(10)27-8-11/h2-7,17H,8H2,1H3,(H,23,24,26)
InChIKeyYSMFWJSVQDOVOM-UHFFFAOYSA-N
XLogP4.78
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.84
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide (CID 24626275) is 6-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide is Cc1nc(NC(=O)C2=Cc3cc(Cl)ccc3OC2)sc1-c1nccn1C(F)F.
What is the InChIKey of 6-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide?
The InChIKey is YSMFWJSVQDOVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N4O2S/c1-9-14(15-22-4-5-25(15)17(20)21)28-18(23-9)24-16(26)11-6-10-7-12(19)2-3-13(10)27-8-11/h2-7,17H,8H2,1H3,(H,23,24,26).
What are the key properties of 6-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide?
6-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide has a molecular weight of 422.84 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 24626275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).