N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methyl-4-oxochromene-2-carboxamide

C18H18N2O3S — CID 17454491

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-6-methyl-4-oxochromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3nc(C(C)(C)C)cs3)cc(=O)c2c1
InChIInChI=1S/C18H18N2O3S/c1-10-5-6-13-11(7-10)12(21)8-14(23-13)16(22)20-17-19-15(9-24-17)18(2,3)4/h5-9H,1-4H3,(H,19,20,22)
InChIKeyCTLKZKTVDXRTPJ-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.11
Rot. Bonds2

About N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methyl-4-oxochromene-2-carboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methyl-4-oxochromene-2-carboxamide (PubChem CID 17454491) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-6-methyl-4-oxochromene-2-carboxamide
PubChem CID17454491
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-6-methyl-4-oxochromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3nc(C(C)(C)C)cs3)cc(=O)c2c1
InChIInChI=1S/C18H18N2O3S/c1-10-5-6-13-11(7-10)12(21)8-14(23-13)16(22)20-17-19-15(9-24-17)18(2,3)4/h5-9H,1-4H3,(H,19,20,22)
InChIKeyCTLKZKTVDXRTPJ-UHFFFAOYSA-N
XLogP4.11
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 2380414
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide
CID 3372647
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide
CID 60654609
N-(2,1,3-benzothiadiazol-5-yl)-6-methyl-4-oxochromene-2-carboxamide
CID 20897494
6-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-2-carboxamide
CID 4975352
6-methyl-4-oxochromene-2-carboxylic acid
CID 688704
N-(3-acetylphenyl)-6-methyl-4-oxochromene-2-carboxamide
CID 16648984
methyl 6-methyl-4-oxochromene-2-carboxylate
CID 7021690
(2R)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)propanamide
CID 78973521
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
CID 24524767
6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-2-carboxamide
CID 53045619
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide
CID 78948952

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methyl-4-oxochromene-2-carboxamide (CID 17454491) is N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methyl-4-oxochromene-2-carboxamide is Cc1ccc2oc(C(=O)Nc3nc(C(C)(C)C)cs3)cc(=O)c2c1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methyl-4-oxochromene-2-carboxamide?
The InChIKey is CTLKZKTVDXRTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-10-5-6-13-11(7-10)12(21)8-14(23-13)16(22)20-17-19-15(9-24-17)18(2,3)4/h5-9H,1-4H3,(H,19,20,22).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methyl-4-oxochromene-2-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methyl-4-oxochromene-2-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 17454491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).