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

C21H19N3O3S — CID 17491569

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)C3COc4ccccc4C3)n2)cc1
InChIInChI=1S/C21H19N3O3S/c1-13(25)22-17-8-6-14(7-9-17)18-12-28-21(23-18)24-20(26)16-10-15-4-2-3-5-19(15)27-11-16/h2-9,12,16H,10-11H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyNFHAJSIKEGEKOX-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.96
Rot. Bonds4

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

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 17491569) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID17491569
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)C3COc4ccccc4C3)n2)cc1
InChIInChI=1S/C21H19N3O3S/c1-13(25)22-17-8-6-14(7-9-17)18-12-28-21(23-18)24-20(26)16-10-15-4-2-3-5-19(15)27-11-16/h2-9,12,16H,10-11H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyNFHAJSIKEGEKOX-UHFFFAOYSA-N
XLogP3.96
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 42887046
(3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51949503
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134044812
(3S)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 51981747
N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578129
methyl 4-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]benzoate
CID 9243838
N-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134042695
N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 60549609
(3S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 25485811
(3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95153639
N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64795048
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 17491569) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide is CC(=O)Nc1ccc(-c2csc(NC(=O)C3COc4ccccc4C3)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is NFHAJSIKEGEKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-13(25)22-17-8-6-14(7-9-17)18-12-28-21(23-18)24-20(26)16-10-15-4-2-3-5-19(15)27-11-16/h2-9,12,16H,10-11H2,1H3,(H,22,25)(H,23,24,26).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 17491569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).