4-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole

C30H30Cl2N4O2S2 — CID 171519301

IUPAC4-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole
SMILESCC(C)c1cc2cc(Cl)c(OCc3cncs3)cc2[nH]1.CC(C)c1cc2cc(Cl)c(OCc3cscn3)cc2[nH]1
InChIInChI=1S/2C15H15ClN2OS/c1-9(2)13-4-10-3-12(16)15(5-14(10)18-13)19-6-11-7-20-8-17-11;1-9(2)13-4-10-3-12(16)15(5-14(10)18-13)19-7-11-6-17-8-20-11/h3-5,7-9,18H,6H2,1-2H3;3-6,8-9,18H,7H2,1-2H3
InChIKeyRNCGKHYWRRZTDU-UHFFFAOYSA-N
MW613.64 g/mol
LogP9.96
Rot. Bonds8

About 4-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole

4-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole (PubChem CID 171519301) has the molecular formula C30H30Cl2N4O2S2 and a molecular weight of 613.64 g/mol. Its IUPAC name is 4-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole
PubChem CID171519301
Molecular FormulaC30H30Cl2N4O2S2
Molecular Weight613.64 g/mol
Exact Mass612.12
IUPAC Name4-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole
SMILESCC(C)c1cc2cc(Cl)c(OCc3cncs3)cc2[nH]1.CC(C)c1cc2cc(Cl)c(OCc3cscn3)cc2[nH]1
InChIInChI=1S/2C15H15ClN2OS/c1-9(2)13-4-10-3-12(16)15(5-14(10)18-13)19-6-11-7-20-8-17-11;1-9(2)13-4-10-3-12(16)15(5-14(10)18-13)19-7-11-6-17-8-20-11/h3-5,7-9,18H,6H2,1-2H3;3-6,8-9,18H,7H2,1-2H3
InChIKeyRNCGKHYWRRZTDU-UHFFFAOYSA-N
XLogP9.96
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.64
LogP ≤ 59.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-2-methyl-1,3-thiazole
CID 171519213
[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methylazanium
CID 171731788
5-chloro-2-propan-2-yl-6-(pyridin-2-ylmethoxy)-1H-indole
CID 171731967
4-chloro-5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,2-thiazole
CID 171517997
2-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]imidazo[1,2-a]pyridine
CID 171731846
5-chloro-6-(2-cyclopropylethoxy)-2-propan-2-yl-1H-indole
CID 171731942
5-chloro-6-(2-ethoxyethoxy)-2-propan-2-yl-1H-indole
CID 171731898
N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-(trideuteriomethyl)cyclopropane-1-carboxamide
CID 171518053
cis-(1S,2S)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-2-fluorocyclopropane-1-carboxamide
CID 171518553
5-chloro-6-(1,4-dioxan-2-ylmethoxy)-2-propan-2-yl-1H-indole
CID 171731919
5-chloro-6-[2-(oxolan-2-yl)ethoxy]-2-propan-2-yl-1H-indole
CID 171518200
2-(azetidin-1-yl)-N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]acetamide
CID 171519120

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole?
The IUPAC name of 4-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole (CID 171519301) is 4-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole.
What is the SMILES notation for 4-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole?
The canonical SMILES for 4-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole is CC(C)c1cc2cc(Cl)c(OCc3cncs3)cc2[nH]1.CC(C)c1cc2cc(Cl)c(OCc3cscn3)cc2[nH]1.
What is the InChIKey of 4-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole?
The InChIKey is RNCGKHYWRRZTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H15ClN2OS/c1-9(2)13-4-10-3-12(16)15(5-14(10)18-13)19-6-11-7-20-8-17-11;1-9(2)13-4-10-3-12(16)15(5-14(10)18-13)19-7-11-6-17-8-20-11/h3-5,7-9,18H,6H2,1-2H3;3-6,8-9,18H,7H2,1-2H3.
What are the key properties of 4-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole?
4-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole has a molecular weight of 613.64 g/mol, XLogP of 9.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole;5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-1,3-thiazole is sourced from PubChem (CID 171519301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).