N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-7-chloro-1H-indole-2-carboxamide

C23H19ClN4O3S — CID 108730900

IUPACN-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-7-chloro-1H-indole-2-carboxamide
SMILESCC(=O)NC1CCOc2ccc(-c3csc(NC(=O)c4cc5cccc(Cl)c5[nH]4)n3)cc21
InChIInChI=1S/C23H19ClN4O3S/c1-12(29)25-17-7-8-31-20-6-5-13(9-15(17)20)19-11-32-23(27-19)28-22(30)18-10-14-3-2-4-16(24)21(14)26-18/h2-6,9-11,17,26H,7-8H2,1H3,(H,25,29)(H,27,28,30)
InChIKeyZOLMBXHCVSDCRI-UHFFFAOYSA-N
MW466.95 g/mol
LogP5.16
Rot. Bonds4

About N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-7-chloro-1H-indole-2-carboxamide

N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-7-chloro-1H-indole-2-carboxamide (PubChem CID 108730900) has the molecular formula C23H19ClN4O3S and a molecular weight of 466.95 g/mol. Its IUPAC name is N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-7-chloro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-7-chloro-1H-indole-2-carboxamide
PubChem CID108730900
Molecular FormulaC23H19ClN4O3S
Molecular Weight466.95 g/mol
Exact Mass466.09
IUPAC NameN-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-7-chloro-1H-indole-2-carboxamide
SMILESCC(=O)NC1CCOc2ccc(-c3csc(NC(=O)c4cc5cccc(Cl)c5[nH]4)n3)cc21
InChIInChI=1S/C23H19ClN4O3S/c1-12(29)25-17-7-8-31-20-6-5-13(9-15(17)20)19-11-32-23(27-19)28-22(30)18-10-14-3-2-4-16(24)21(14)26-18/h2-6,9-11,17,26H,7-8H2,1H3,(H,25,29)(H,27,28,30)
InChIKeyZOLMBXHCVSDCRI-UHFFFAOYSA-N
XLogP5.16
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.95
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-chloroacetamide
CID 108730842
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-chloropropanamide
CID 108730854
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 108730820
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3-(2-chlorophenoxy)propanamide
CID 108811014
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-methoxyacetamide
CID 108730892
(E)-N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]but-2-enamide
CID 108754392
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]butanamide
CID 108730853
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 108754399
N-[6-(2-amino-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 52983828
N-[6-[2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 108773181
N-[6-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 108781114
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-2-(1-adamantyl)acetamide
CID 108754425

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-7-chloro-1H-indole-2-carboxamide?
The IUPAC name of N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-7-chloro-1H-indole-2-carboxamide (CID 108730900) is N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-7-chloro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-7-chloro-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-7-chloro-1H-indole-2-carboxamide is CC(=O)NC1CCOc2ccc(-c3csc(NC(=O)c4cc5cccc(Cl)c5[nH]4)n3)cc21.
What is the InChIKey of N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-7-chloro-1H-indole-2-carboxamide?
The InChIKey is ZOLMBXHCVSDCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3S/c1-12(29)25-17-7-8-31-20-6-5-13(9-15(17)20)19-11-32-23(27-19)28-22(30)18-10-14-3-2-4-16(24)21(14)26-18/h2-6,9-11,17,26H,7-8H2,1H3,(H,25,29)(H,27,28,30).
What are the key properties of N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-7-chloro-1H-indole-2-carboxamide?
N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-7-chloro-1H-indole-2-carboxamide has a molecular weight of 466.95 g/mol, XLogP of 5.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamido-3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]-7-chloro-1H-indole-2-carboxamide is sourced from PubChem (CID 108730900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).