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

C20H13Cl3N2O2S — CID 16652205

IUPAC6-chloro-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide
SMILESO=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C20H13Cl3N2O2S/c21-14-1-3-17(23)11(6-14)8-16-9-24-20(28-16)25-19(26)13-5-12-7-15(22)2-4-18(12)27-10-13/h1-7,9H,8,10H2,(H,24,25,26)
InChIKeySWSJYRPFQRFHDZ-UHFFFAOYSA-N
MW451.76 g/mol
LogP6.11
Rot. Bonds4

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

6-chloro-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide (PubChem CID 16652205) has the molecular formula C20H13Cl3N2O2S and a molecular weight of 451.76 g/mol. Its IUPAC name is 6-chloro-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide
PubChem CID16652205
Molecular FormulaC20H13Cl3N2O2S
Molecular Weight451.76 g/mol
Exact Mass449.98
IUPAC Name6-chloro-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide
SMILESO=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)C1=Cc2cc(Cl)ccc2OC1
InChIInChI=1S/C20H13Cl3N2O2S/c21-14-1-3-17(23)11(6-14)8-16-9-24-20(28-16)25-19(26)13-5-12-7-15(22)2-4-18(12)27-10-13/h1-7,9H,8,10H2,(H,24,25,26)
InChIKeySWSJYRPFQRFHDZ-UHFFFAOYSA-N
XLogP6.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.76
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 60567350
3-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 46485096
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 3891053
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide
CID 112766840
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 25477643
2-(2,5-dichlorophenoxy)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23800530
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide
CID 3928165
3-(4-chlorophenyl)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 4229329
6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide
CID 119504069
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 1113549
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45273521
6-chloro-2H-chromene-3-carbonyl chloride
CID 2735716

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide (CID 16652205) is 6-chloro-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide is O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)C1=Cc2cc(Cl)ccc2OC1.
What is the InChIKey of 6-chloro-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide?
The InChIKey is SWSJYRPFQRFHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl3N2O2S/c21-14-1-3-17(23)11(6-14)8-16-9-24-20(28-16)25-19(26)13-5-12-7-15(22)2-4-18(12)27-10-13/h1-7,9H,8,10H2,(H,24,25,26).
What are the key properties of 6-chloro-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide?
6-chloro-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide has a molecular weight of 451.76 g/mol, XLogP of 6.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 16652205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).