2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-4-carboxamide

C22H22N2O3S — CID 71292775

IUPAC2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1csc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)n1
InChIInChI=1S/C22H22N2O3S/c1-2-12-23-21(25)18-14-28-22(24-18)26-17-9-11-20-16(13-17)8-10-19(27-20)15-6-4-3-5-7-15/h3-7,9,11,13-14,19H,2,8,10,12H2,1H3,(H,23,25)/t19-/m0/s1
InChIKeyZECPCICJNJTCCL-IBGZPJMESA-N
MW394.50 g/mol
LogP5.14
Rot. Bonds6

About 2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-4-carboxamide

2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-4-carboxamide (PubChem CID 71292775) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-4-carboxamide
PubChem CID71292775
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCNC(=O)c1csc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)n1
InChIInChI=1S/C22H22N2O3S/c1-2-12-23-21(25)18-14-28-22(24-18)26-17-9-11-20-16(13-17)8-10-19(27-20)15-6-4-3-5-7-15/h3-7,9,11,13-14,19H,2,8,10,12H2,1H3,(H,23,25)/t19-/m0/s1
InChIKeyZECPCICJNJTCCL-IBGZPJMESA-N
XLogP5.14
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472640
2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-N-[(1S)-1-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 91754780
2-methyl-N-[[2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]-1,3-thiazol-5-yl]methyl]-1,3-thiazole-4-carboxamide
CID 91754798
N-(2-hydroxyethyl)-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-4-carboxamide
CID 91754897
N-[2-(2-oxoimidazolidin-1-yl)ethyl]-2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole-4-carboxamide
CID 91754898
N-cyclopropyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712420
{2-[(2,3-Dimethylphenoxy)methyl]-1,3-thiazol-4-yl}(morpholino)methanone
CID 24713013
N-[(3-fluorophenyl)methyl]-2-(3-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066457
N-[(4-fluorophenyl)methyl]-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066518
N-(Propan-2-YL)-2-{[3-(trifluoromethyl)phenoxy]methyl}-1,3-thiazole-4-carboxamide
CID 83280564
N-(2-methylpropyl)-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066504
N-benzyl-2-(3-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066507

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-4-carboxamide (CID 71292775) is 2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-4-carboxamide is CCCNC(=O)c1csc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)n1.
What is the InChIKey of 2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is ZECPCICJNJTCCL-IBGZPJMESA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-2-12-23-21(25)18-14-28-22(24-18)26-17-9-11-20-16(13-17)8-10-19(27-20)15-6-4-3-5-7-15/h3-7,9,11,13-14,19H,2,8,10,12H2,1H3,(H,23,25)/t19-/m0/s1.
What are the key properties of 2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-4-carboxamide?
2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71292775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).