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

C16H17ClN2OS — CID 171519213

IUPAC5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(COc2cc3[nH]c(C(C)C)cc3cc2Cl)s1
InChIInChI=1S/C16H17ClN2OS/c1-9(2)14-5-11-4-13(17)16(6-15(11)19-14)20-8-12-7-18-10(3)21-12/h4-7,9,19H,8H2,1-3H3
InChIKeyMTUPEPGWERMYRN-UHFFFAOYSA-N
MW320.85 g/mol
LogP5.29
Rot. Bonds4

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

5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-2-methyl-1,3-thiazole (PubChem CID 171519213) has the molecular formula C16H17ClN2OS and a molecular weight of 320.85 g/mol. Its IUPAC name is 5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-2-methyl-1,3-thiazole
PubChem CID171519213
Molecular FormulaC16H17ClN2OS
Molecular Weight320.85 g/mol
Exact Mass320.08
IUPAC Name5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-2-methyl-1,3-thiazole
SMILESCc1ncc(COc2cc3[nH]c(C(C)C)cc3cc2Cl)s1
InChIInChI=1S/C16H17ClN2OS/c1-9(2)14-5-11-4-13(17)16(6-15(11)19-14)20-8-12-7-18-10(3)21-12/h4-7,9,19H,8H2,1-3H3
InChIKeyMTUPEPGWERMYRN-UHFFFAOYSA-N
XLogP5.29
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.85
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

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
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
5-chloro-2-propan-2-yl-6-(pyridin-2-ylmethoxy)-1H-indole
CID 171731967
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
2-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]imidazo[1,2-a]pyridine
CID 171731846
5-chloro-6-[2-(oxolan-2-yl)ethoxy]-2-propan-2-yl-1H-indole
CID 171518200
5-chloro-6-(1,4-dioxan-2-ylmethoxy)-2-propan-2-yl-1H-indole
CID 171731919
(1S)-1-[5-chloro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 78933150
1-[3-chloro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 63020493
(1R)-1-[5-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 63367368
1-[6-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methoxy]-2-pyridinyl]propan-2-amine
CID 79169332

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-2-methyl-1,3-thiazole (CID 171519213) is 5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-2-methyl-1,3-thiazole is Cc1ncc(COc2cc3[nH]c(C(C)C)cc3cc2Cl)s1.
What is the InChIKey of 5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-2-methyl-1,3-thiazole?
The InChIKey is MTUPEPGWERMYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2OS/c1-9(2)14-5-11-4-13(17)16(6-15(11)19-14)20-8-12-7-18-10(3)21-12/h4-7,9,19H,8H2,1-3H3.
What are the key properties of 5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-2-methyl-1,3-thiazole?
5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-2-methyl-1,3-thiazole has a molecular weight of 320.85 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-propan-2-yl-1H-indol-6-yl)oxymethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 171519213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).