N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide

C21H20N2O2S — CID 16648957

IUPACN-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1ccc(Cc2cnc(NC(=O)C3COc4ccccc4C3)s2)cc1
InChIInChI=1S/C21H20N2O2S/c1-14-6-8-15(9-7-14)10-18-12-22-21(26-18)23-20(24)17-11-16-4-2-3-5-19(16)25-13-17/h2-9,12,17H,10-11,13H2,1H3,(H,22,23,24)
InChIKeyLLSKBMBNZZEFPK-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.23
Rot. Bonds4

About N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 16648957) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID16648957
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1ccc(Cc2cnc(NC(=O)C3COc4ccccc4C3)s2)cc1
InChIInChI=1S/C21H20N2O2S/c1-14-6-8-15(9-7-14)10-18-12-22-21(26-18)23-20(24)17-11-16-4-2-3-5-19(16)25-13-17/h2-9,12,17H,10-11,13H2,1H3,(H,22,23,24)
InChIKeyLLSKBMBNZZEFPK-UHFFFAOYSA-N
XLogP4.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64795048
N-(4,6-dimethyl-2-pyridinyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22105811
6-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 17463112
(3R)-N-(5-benzyl-1,3-thiazol-2-yl)-7-methyl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 7172826
1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 18130138
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
4-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 27407172
N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 4908814
N-(2-chloropyrimidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 116798426
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 46628982
ethyl 2-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 40840537
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55614121

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 16648957) is N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide is Cc1ccc(Cc2cnc(NC(=O)C3COc4ccccc4C3)s2)cc1.
What is the InChIKey of N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is LLSKBMBNZZEFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-14-6-8-15(9-7-14)10-18-12-22-21(26-18)23-20(24)17-11-16-4-2-3-5-19(16)25-13-17/h2-9,12,17H,10-11,13H2,1H3,(H,22,23,24).
What are the key properties of N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 16648957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).