2-[[(4R)-4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]amino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone

C24H25N3O3S — CID 100710526

IUPAC2-[[(4R)-4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]amino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESCc1nc(-c2ccc3c(c2)CCN3C(=O)CN[C@]2(CO)CCOc3ccccc32)cs1
InChIInChI=1S/C24H25N3O3S/c1-16-26-20(14-31-16)17-6-7-21-18(12-17)8-10-27(21)23(29)13-25-24(15-28)9-11-30-22-5-3-2-4-19(22)24/h2-7,12,14,25,28H,8-11,13,15H2,1H3/t24-/m0/s1
InChIKeyOSRGVVQBOWXNJG-DEOSSOPVSA-N
MW435.55 g/mol
LogP3.27
Rot. Bonds5

About 2-[[(4R)-4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]amino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone

2-[[(4R)-4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]amino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 100710526) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-[[(4R)-4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]amino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-[[(4R)-4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]amino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID100710526
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name2-[[(4R)-4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]amino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
SMILESCc1nc(-c2ccc3c(c2)CCN3C(=O)CN[C@]2(CO)CCOc3ccccc32)cs1
InChIInChI=1S/C24H25N3O3S/c1-16-26-20(14-31-16)17-6-7-21-18(12-17)8-10-27(21)23(29)13-25-24(15-28)9-11-30-22-5-3-2-4-19(22)24/h2-7,12,14,25,28H,8-11,13,15H2,1H3/t24-/m0/s1
InChIKeyOSRGVVQBOWXNJG-DEOSSOPVSA-N
XLogP3.27
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[(4R)-4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]amino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone 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

(2S)-2-methyl-4-[2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 33322384
N,N-diethyl-4-[2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazine-1-carboxamide
CID 37194992
1H-indazol-3-yl-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]methanone
CID 53179833
3-cyclopentyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]propan-1-one
CID 18270362
[2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449581
[4-(ethylamino)-2,3-dihydrochromen-4-yl]methanol
CID 61048933
2-(3-methoxyphenyl)-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
CID 27899486
2-(1H-benzimidazol-2-ylsulfanyl)-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
CID 46644068
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
CID 126767182
[2-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 55448155
2-(2,4-difluorophenyl)sulfanyl-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
CID 18280412
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone
CID 18206501

Frequently Asked Questions

What is the IUPAC name of 2-[[(4R)-4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]amino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-[[(4R)-4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]amino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone (CID 100710526) is 2-[[(4R)-4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]amino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-[[(4R)-4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]amino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-[[(4R)-4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]amino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone is Cc1nc(-c2ccc3c(c2)CCN3C(=O)CN[C@]2(CO)CCOc3ccccc32)cs1.
What is the InChIKey of 2-[[(4R)-4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]amino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is OSRGVVQBOWXNJG-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-16-26-20(14-31-16)17-6-7-21-18(12-17)8-10-27(21)23(29)13-25-24(15-28)9-11-30-22-5-3-2-4-19(22)24/h2-7,12,14,25,28H,8-11,13,15H2,1H3/t24-/m0/s1.
What are the key properties of 2-[[(4R)-4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]amino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone?
2-[[(4R)-4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]amino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 435.55 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R)-4-(hydroxymethyl)-2,3-dihydrochromen-4-yl]amino]-1-[5-(2-methyl-1,3-thiazol-4-yl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 100710526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).