2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide

C24H28N4O4S — CID 91537699

IUPAC2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide
SMILESCOCc1ccc(Oc2cc(OC(C)C)c3[nH]c(C4=NCC(C(C)C(N)=O)S4)cc3c2)cn1
InChIInChI=1S/C24H28N4O4S/c1-13(2)31-20-9-18(32-17-6-5-16(12-30-4)26-10-17)7-15-8-19(28-22(15)20)24-27-11-21(33-24)14(3)23(25)29/h5-10,13-14,21,28H,11-12H2,1-4H3,(H2,25,29)
InChIKeyQLINYVXYXMJEQL-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.27
Rot. Bonds9

About 2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide

2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide (PubChem CID 91537699) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide.

Molecular Properties

Compound Name2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide
PubChem CID91537699
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide
SMILESCOCc1ccc(Oc2cc(OC(C)C)c3[nH]c(C4=NCC(C(C)C(N)=O)S4)cc3c2)cn1
InChIInChI=1S/C24H28N4O4S/c1-13(2)31-20-9-18(32-17-6-5-16(12-30-4)26-10-17)7-15-8-19(28-22(15)20)24-27-11-21(33-24)14(3)23(25)29/h5-10,13-14,21,28H,11-12H2,1-4H3,(H2,25,29)
InChIKeyQLINYVXYXMJEQL-UHFFFAOYSA-N
XLogP4.27
TPSA111.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide?
The IUPAC name of 2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide (CID 91537699) is 2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide.
What is the SMILES notation for 2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide?
The canonical SMILES for 2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide is COCc1ccc(Oc2cc(OC(C)C)c3[nH]c(C4=NCC(C(C)C(N)=O)S4)cc3c2)cn1.
What is the InChIKey of 2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide?
The InChIKey is QLINYVXYXMJEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-13(2)31-20-9-18(32-17-6-5-16(12-30-4)26-10-17)7-15-8-19(28-22(15)20)24-27-11-21(33-24)14(3)23(25)29/h5-10,13-14,21,28H,11-12H2,1-4H3,(H2,25,29).
What are the key properties of 2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide?
2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide has a molecular weight of 468.58 g/mol, XLogP of 4.27, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-7-propan-2-yloxy-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]propanamide is sourced from PubChem (CID 91537699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).