2-benzyl-4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazole

C20H20N2O2S2 — CID 9174201

IUPAC2-benzyl-4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazole
SMILESC[C@@H]1Cc2cc(-c3csc(Cc4ccccc4)n3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C20H20N2O2S2/c1-14-10-17-12-16(8-9-19(17)22(14)26(2,23)24)18-13-25-20(21-18)11-15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3/t14-/m1/s1
InChIKeyDCGZSXZNROFWIV-CQSZACIVSA-N
MW384.53 g/mol
LogP4.11
Rot. Bonds4

About 2-benzyl-4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazole

2-benzyl-4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazole (PubChem CID 9174201) has the molecular formula C20H20N2O2S2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 2-benzyl-4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-benzyl-4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazole
PubChem CID9174201
Molecular FormulaC20H20N2O2S2
Molecular Weight384.53 g/mol
Exact Mass384.10
IUPAC Name2-benzyl-4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazole
SMILESC[C@@H]1Cc2cc(-c3csc(Cc4ccccc4)n3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C20H20N2O2S2/c1-14-10-17-12-16(8-9-19(17)22(14)26(2,23)24)18-13-25-20(21-18)11-15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3/t14-/m1/s1
InChIKeyDCGZSXZNROFWIV-CQSZACIVSA-N
XLogP4.11
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenol
CID 135913068
N-methyl-4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine
CID 7436682
2-(3-methoxyphenyl)-4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole
CID 17473063
N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 92969218
N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]propanamide
CID 1458577
N-[(4-fluorophenyl)methyl]-4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-amine
CID 24505639
N-(furan-2-ylmethyl)-2-[4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 33405157
4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 17408245
2-cyclohexyl-N-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 3226518
N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 1458548
tert-butyl 4-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 52502675
5-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole
CID 84761078

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazole?
The IUPAC name of 2-benzyl-4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazole (CID 9174201) is 2-benzyl-4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazole.
What is the SMILES notation for 2-benzyl-4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazole?
The canonical SMILES for 2-benzyl-4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazole is C[C@@H]1Cc2cc(-c3csc(Cc4ccccc4)n3)ccc2N1S(C)(=O)=O.
What is the InChIKey of 2-benzyl-4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazole?
The InChIKey is DCGZSXZNROFWIV-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20N2O2S2/c1-14-10-17-12-16(8-9-19(17)22(14)26(2,23)24)18-13-25-20(21-18)11-15-6-4-3-5-7-15/h3-9,12-14H,10-11H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-benzyl-4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazole?
2-benzyl-4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazole has a molecular weight of 384.53 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazole is sourced from PubChem (CID 9174201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).