N,N-dimethyl-6-phenylmethoxy-3-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-4-carbonyl)indole-1-carboxamide;oxalic acid

C29H26N4O7S — CID 67809642

IUPACN,N-dimethyl-6-phenylmethoxy-3-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-4-carbonyl)indole-1-carboxamide;oxalic acid
SMILESCN(C)C(=O)n1cc(C(=O)C2=CSC(c3cccnc3)N2)c2ccc(OCc3ccccc3)cc21.O=C(O)C(=O)O
InChIInChI=1S/C27H24N4O3S.C2H2O4/c1-30(2)27(33)31-15-22(25(32)23-17-35-26(29-23)19-9-6-12-28-14-19)21-11-10-20(13-24(21)31)34-16-18-7-4-3-5-8-18;3-1(4)2(5)6/h3-15,17,26,29H,16H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyIJHWFVOUZSCJFN-UHFFFAOYSA-N
MW574.62 g/mol
LogP4.36
Rot. Bonds6

About N,N-dimethyl-6-phenylmethoxy-3-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-4-carbonyl)indole-1-carboxamide;oxalic acid

N,N-dimethyl-6-phenylmethoxy-3-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-4-carbonyl)indole-1-carboxamide;oxalic acid (PubChem CID 67809642) has the molecular formula C29H26N4O7S and a molecular weight of 574.62 g/mol. Its IUPAC name is N,N-dimethyl-6-phenylmethoxy-3-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-4-carbonyl)indole-1-carboxamide;oxalic acid.

Molecular Properties

Compound NameN,N-dimethyl-6-phenylmethoxy-3-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-4-carbonyl)indole-1-carboxamide;oxalic acid
PubChem CID67809642
Molecular FormulaC29H26N4O7S
Molecular Weight574.62 g/mol
Exact Mass574.15
IUPAC NameN,N-dimethyl-6-phenylmethoxy-3-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-4-carbonyl)indole-1-carboxamide;oxalic acid
SMILESCN(C)C(=O)n1cc(C(=O)C2=CSC(c3cccnc3)N2)c2ccc(OCc3ccccc3)cc21.O=C(O)C(=O)O
InChIInChI=1S/C27H24N4O3S.C2H2O4/c1-30(2)27(33)31-15-22(25(32)23-17-35-26(29-23)19-9-6-12-28-14-19)21-11-10-20(13-24(21)31)34-16-18-7-4-3-5-8-18;3-1(4)2(5)6/h3-15,17,26,29H,16H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyIJHWFVOUZSCJFN-UHFFFAOYSA-N
XLogP4.36
TPSA151.06 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.62
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-phenylmethoxy-3-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-4-carbonyl)indole-1-carboxamide;oxalic acid?
The IUPAC name of N,N-dimethyl-6-phenylmethoxy-3-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-4-carbonyl)indole-1-carboxamide;oxalic acid (CID 67809642) is N,N-dimethyl-6-phenylmethoxy-3-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-4-carbonyl)indole-1-carboxamide;oxalic acid.
What is the SMILES notation for N,N-dimethyl-6-phenylmethoxy-3-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-4-carbonyl)indole-1-carboxamide;oxalic acid?
The canonical SMILES for N,N-dimethyl-6-phenylmethoxy-3-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-4-carbonyl)indole-1-carboxamide;oxalic acid is CN(C)C(=O)n1cc(C(=O)C2=CSC(c3cccnc3)N2)c2ccc(OCc3ccccc3)cc21.O=C(O)C(=O)O.
What is the InChIKey of N,N-dimethyl-6-phenylmethoxy-3-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-4-carbonyl)indole-1-carboxamide;oxalic acid?
The InChIKey is IJHWFVOUZSCJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3S.C2H2O4/c1-30(2)27(33)31-15-22(25(32)23-17-35-26(29-23)19-9-6-12-28-14-19)21-11-10-20(13-24(21)31)34-16-18-7-4-3-5-8-18;3-1(4)2(5)6/h3-15,17,26,29H,16H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N,N-dimethyl-6-phenylmethoxy-3-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-4-carbonyl)indole-1-carboxamide;oxalic acid?
N,N-dimethyl-6-phenylmethoxy-3-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-4-carbonyl)indole-1-carboxamide;oxalic acid has a molecular weight of 574.62 g/mol, XLogP of 4.36, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-phenylmethoxy-3-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazole-4-carbonyl)indole-1-carboxamide;oxalic acid is sourced from PubChem (CID 67809642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).