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

C17H16N2O3S — CID 4216025

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-4-oxochromene-3-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2coc3ccccc3c2=O)n1
InChIInChI=1S/C17H16N2O3S/c1-17(2,3)13-9-23-16(18-13)19-15(21)11-8-22-12-7-5-4-6-10(12)14(11)20/h4-9H,1-3H3,(H,18,19,21)
InChIKeyVXTJYNBCDCDOHB-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.80
Rot. Bonds2

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

N-(4-tert-butyl-1,3-thiazol-2-yl)-4-oxochromene-3-carboxamide (PubChem CID 4216025) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-4-oxochromene-3-carboxamide
PubChem CID4216025
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-4-oxochromene-3-carboxamide
SMILESCC(C)(C)c1csc(NC(=O)c2coc3ccccc3c2=O)n1
InChIInChI=1S/C17H16N2O3S/c1-17(2,3)13-9-23-16(18-13)19-15(21)11-8-22-12-7-5-4-6-10(12)14(11)20/h4-9H,1-3H3,(H,18,19,21)
InChIKeyVXTJYNBCDCDOHB-UHFFFAOYSA-N
XLogP3.80
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide
CID 4156836
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide
CID 4132474
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-oxochromene-3-carboxamide
CID 4152783
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide
CID 62237194
N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-3-carboxamide
CID 5198281
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide
CID 4138821
2-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)benzamide
CID 16551592
4-oxo-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)chromene-3-carboxamide
CID 7202907
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,4-dimethylbenzamide
CID 3372647
methyl 2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 7166895
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoropyridine-2-carboxamide
CID 113323542

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-4-oxochromene-3-carboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-4-oxochromene-3-carboxamide (CID 4216025) is N-(4-tert-butyl-1,3-thiazol-2-yl)-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-4-oxochromene-3-carboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-4-oxochromene-3-carboxamide is CC(C)(C)c1csc(NC(=O)c2coc3ccccc3c2=O)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-4-oxochromene-3-carboxamide?
The InChIKey is VXTJYNBCDCDOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-17(2,3)13-9-23-16(18-13)19-15(21)11-8-22-12-7-5-4-6-10(12)14(11)20/h4-9H,1-3H3,(H,18,19,21).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-4-oxochromene-3-carboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-oxochromene-3-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 3.80, 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)-4-oxochromene-3-carboxamide is sourced from PubChem (CID 4216025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).