4-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenol

C19H18N2O3S2 — CID 135913068

IUPAC4-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenol
SMILESCC1Cc2cc(-c3csc(-c4ccc(O)cc4)n3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C19H18N2O3S2/c1-12-9-15-10-14(5-8-18(15)21(12)26(2,23)24)17-11-25-19(20-17)13-3-6-16(22)7-4-13/h3-8,10-12,22H,9H2,1-2H3
InChIKeyBIQCQZJCTOMRCE-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.89
Rot. Bonds3

About 4-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenol

4-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenol (PubChem CID 135913068) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenol
PubChem CID135913068
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC Name4-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenol
SMILESCC1Cc2cc(-c3csc(-c4ccc(O)cc4)n3)ccc2N1S(C)(=O)=O
InChIInChI=1S/C19H18N2O3S2/c1-12-9-15-10-14(5-8-18(15)21(12)26(2,23)24)17-11-25-19(20-17)13-3-6-16(22)7-4-13/h3-8,10-12,22H,9H2,1-2H3
InChIKeyBIQCQZJCTOMRCE-UHFFFAOYSA-N
XLogP3.89
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenol 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

2-(3-methoxyphenyl)-4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazole
CID 17473063
N-methyl-4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-amine
CID 7436682
2-benzyl-4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazole
CID 9174201
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
4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 17408245
N-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 1458548
2-cyclohexyl-N-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 3226518
tert-butyl 4-[4-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 52502675
N-(furan-2-ylmethyl)-2-[4-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-1,3-thiazol-2-yl]acetamide
CID 33405157
2-methyl-1-methylsulfonyl-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2,3-dihydroindole-5-carboxamide
CID 55434266

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenol?
The IUPAC name of 4-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenol (CID 135913068) is 4-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 4-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 4-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenol is CC1Cc2cc(-c3csc(-c4ccc(O)cc4)n3)ccc2N1S(C)(=O)=O.
What is the InChIKey of 4-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenol?
The InChIKey is BIQCQZJCTOMRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S2/c1-12-9-15-10-14(5-8-18(15)21(12)26(2,23)24)17-11-25-19(20-17)13-3-6-16(22)7-4-13/h3-8,10-12,22H,9H2,1-2H3.
What are the key properties of 4-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenol?
4-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenol has a molecular weight of 386.50 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 135913068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).