N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-(2-propan-2-ylphenyl)chromene-8-carboxamide

C23H20N2O3S — CID 58477243

IUPACN-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-(2-propan-2-ylphenyl)chromene-8-carboxamide
SMILESCc1cnc(NC(=O)c2cccc3c(=O)cc(-c4ccccc4C(C)C)oc23)s1
InChIInChI=1S/C23H20N2O3S/c1-13(2)15-7-4-5-8-16(15)20-11-19(26)17-9-6-10-18(21(17)28-20)22(27)25-23-24-12-14(3)29-23/h4-13H,1-3H3,(H,24,25,27)
InChIKeyTYYXPSCEXMNPLF-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.60
Rot. Bonds4

About N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-(2-propan-2-ylphenyl)chromene-8-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-(2-propan-2-ylphenyl)chromene-8-carboxamide (PubChem CID 58477243) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-(2-propan-2-ylphenyl)chromene-8-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-(2-propan-2-ylphenyl)chromene-8-carboxamide
PubChem CID58477243
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-(2-propan-2-ylphenyl)chromene-8-carboxamide
SMILESCc1cnc(NC(=O)c2cccc3c(=O)cc(-c4ccccc4C(C)C)oc23)s1
InChIInChI=1S/C23H20N2O3S/c1-13(2)15-7-4-5-8-16(15)20-11-19(26)17-9-6-10-18(21(17)28-20)22(27)25-23-24-12-14(3)29-23/h4-13H,1-3H3,(H,24,25,27)
InChIKeyTYYXPSCEXMNPLF-UHFFFAOYSA-N
XLogP5.60
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-N-1,3-thiazol-2-yl-2-naphthamide
CID 604038
2-methoxy-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2558548
[2-[(5-Chlorothiazol-2-yl)carbamoyl]-6-methyl-phenyl] acetate
CID 11673989
6-methoxy-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)-2-naphthamide
CID 45267552
3-methoxy-N-(1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 726005
[2-[(5-Bromothiazol-2-yl)carbamoyl]-4-methyl-phenyl] acetate
CID 11956389
[2-[[5-(Trifluoromethyl)thiazol-2-yl]carbamoyl]phenyl] acetate
CID 49775775
N-(5-methyl-1,3-thiazol-2-yl)-4-oxochromene-2-carboxamide
CID 41584418
5-(2-Benzamidothiazol-5-yl)-3-(2-(trifluoromethyl)benzyloxy)thiophene-2-carboxamide
CID 45272866
4-propoxy-N-(5-(3-(trifluoromethyl)benzyl)thiazol-2-yl)benzamide
CID 1565689
2-ethoxy-N-(5-(2-fluorobenzyl)thiazol-2-yl)benzamide
CID 5041092
Benzamide, 2-(acetyloxy)-N-(5-bromo-2-thiazolyl)-3-methyl-
CID 11674789

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-(2-propan-2-ylphenyl)chromene-8-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-(2-propan-2-ylphenyl)chromene-8-carboxamide (CID 58477243) is N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-(2-propan-2-ylphenyl)chromene-8-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-(2-propan-2-ylphenyl)chromene-8-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-(2-propan-2-ylphenyl)chromene-8-carboxamide is Cc1cnc(NC(=O)c2cccc3c(=O)cc(-c4ccccc4C(C)C)oc23)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-(2-propan-2-ylphenyl)chromene-8-carboxamide?
The InChIKey is TYYXPSCEXMNPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-13(2)15-7-4-5-8-16(15)20-11-19(26)17-9-6-10-18(21(17)28-20)22(27)25-23-24-12-14(3)29-23/h4-13H,1-3H3,(H,24,25,27).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-(2-propan-2-ylphenyl)chromene-8-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-(2-propan-2-ylphenyl)chromene-8-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-(2-propan-2-ylphenyl)chromene-8-carboxamide is sourced from PubChem (CID 58477243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).