methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate

C19H21N3O5S — CID 71827806

IUPACmethyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)c2cc3cc(OC)c(OC)cc3[nH]2)sc1C(C)C
InChIInChI=1S/C19H21N3O5S/c1-9(2)16-15(18(24)27-5)21-19(28-16)22-17(23)12-6-10-7-13(25-3)14(26-4)8-11(10)20-12/h6-9,20H,1-5H3,(H,21,22,23)
InChIKeyXFHVMWVHJQYUQE-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.80
Rot. Bonds6

About methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate

methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate (PubChem CID 71827806) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
PubChem CID71827806
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Namemethyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)c2cc3cc(OC)c(OC)cc3[nH]2)sc1C(C)C
InChIInChI=1S/C19H21N3O5S/c1-9(2)16-15(18(24)27-5)21-19(28-16)22-17(23)12-6-10-7-13(25-3)14(26-4)8-11(10)20-12/h6-9,20H,1-5H3,(H,21,22,23)
InChIKeyXFHVMWVHJQYUQE-UHFFFAOYSA-N
XLogP3.80
TPSA102.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate (CID 71827806) is methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC(=O)c2cc3cc(OC)c(OC)cc3[nH]2)sc1C(C)C.
What is the InChIKey of methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The InChIKey is XFHVMWVHJQYUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-9(2)16-15(18(24)27-5)21-19(28-16)22-17(23)12-6-10-7-13(25-3)14(26-4)8-11(10)20-12/h6-9,20H,1-5H3,(H,21,22,23).
What are the key properties of methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate?
methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate has a molecular weight of 403.46 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5,6-dimethoxy-1H-indole-2-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 71827806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).