N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2H-chromene-3-carboxamide

C20H16N2O2S — CID 43032454

IUPACN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2H-chromene-3-carboxamide
SMILESCc1csc(N(C(=O)C2=Cc3ccccc3OC2)c2ccccc2)n1
InChIInChI=1S/C20H16N2O2S/c1-14-13-25-20(21-14)22(17-8-3-2-4-9-17)19(23)16-11-15-7-5-6-10-18(15)24-12-16/h2-11,13H,12H2,1H3
InChIKeyYBLRJZWMIHIIQQ-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.59
Rot. Bonds3

About N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2H-chromene-3-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2H-chromene-3-carboxamide (PubChem CID 43032454) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2H-chromene-3-carboxamide
PubChem CID43032454
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2H-chromene-3-carboxamide
SMILESCc1csc(N(C(=O)C2=Cc3ccccc3OC2)c2ccccc2)n1
InChIInChI=1S/C20H16N2O2S/c1-14-13-25-20(21-14)22(17-8-3-2-4-9-17)19(23)16-11-15-7-5-6-10-18(15)24-12-16/h2-11,13H,12H2,1H3
InChIKeyYBLRJZWMIHIIQQ-UHFFFAOYSA-N
XLogP4.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2H-chromene-3-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2H-chromene-3-carboxamide (CID 43032454) is N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2H-chromene-3-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2H-chromene-3-carboxamide is Cc1csc(N(C(=O)C2=Cc3ccccc3OC2)c2ccccc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2H-chromene-3-carboxamide?
The InChIKey is YBLRJZWMIHIIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-14-13-25-20(21-14)22(17-8-3-2-4-9-17)19(23)16-11-15-7-5-6-10-18(15)24-12-16/h2-11,13H,12H2,1H3.
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2H-chromene-3-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2H-chromene-3-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2H-chromene-3-carboxamide is sourced from PubChem (CID 43032454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).