N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylpropanamide

C19H16N2O2S — CID 4190684

IUPACN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1nc2c(s1)COc1ccccc1-2
InChIInChI=1S/C19H16N2O2S/c22-17(11-10-13-6-2-1-3-7-13)20-19-21-18-14-8-4-5-9-15(14)23-12-16(18)24-19/h1-9H,10-12H2,(H,20,21,22)
InChIKeyBNWJKEZHSIMKBM-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.27
Rot. Bonds4

About N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylpropanamide

N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylpropanamide (PubChem CID 4190684) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylpropanamide
PubChem CID4190684
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC NameN-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1nc2c(s1)COc1ccccc1-2
InChIInChI=1S/C19H16N2O2S/c22-17(11-10-13-6-2-1-3-7-13)20-19-21-18-14-8-4-5-9-15(14)23-12-16(18)24-19/h1-9H,10-12H2,(H,20,21,22)
InChIKeyBNWJKEZHSIMKBM-UHFFFAOYSA-N
XLogP4.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 16849395
4-benzoyl-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 4557200
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)naphthalene-1-carboxamide
CID 4115235
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-fluorobenzamide
CID 4533660
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 4050137
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-1-methylpyrazole-3-carboxamide
CID 45284124
[4-(4H-chromeno[4,3-d][1,3]thiazol-2-ylamino)cyclohexyl]methylcarbamic acid
CID 87833982
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 733834
1-(benzenesulfonyl)-N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 16861664
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)pentanamide
CID 5197316
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-3-phenoxypropanamide
CID 5093075
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-(5-nitrothiophen-2-yl)prop-2-enamide
CID 3479272

Frequently Asked Questions

What is the IUPAC name of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylpropanamide?
The IUPAC name of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylpropanamide (CID 4190684) is N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylpropanamide.
What is the SMILES notation for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylpropanamide?
The canonical SMILES for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1nc2c(s1)COc1ccccc1-2.
What is the InChIKey of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylpropanamide?
The InChIKey is BNWJKEZHSIMKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-17(11-10-13-6-2-1-3-7-13)20-19-21-18-14-8-4-5-9-15(14)23-12-16(18)24-19/h1-9H,10-12H2,(H,20,21,22).
What are the key properties of N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylpropanamide?
N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylpropanamide has a molecular weight of 336.42 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 4190684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).