[2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazol-5-yl]-pyrrolidin-1-ylmethanone

C20H25N3O2S — CID 134075272

IUPAC[2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1cccc(-c2nc3c(s2)N(C(C)C)C(C(=O)N2CCCC2)C3)c1
InChIInChI=1S/C20H25N3O2S/c1-13(2)23-17(19(24)22-9-4-5-10-22)12-16-20(23)26-18(21-16)14-7-6-8-15(11-14)25-3/h6-8,11,13,17H,4-5,9-10,12H2,1-3H3
InChIKeyKHDZRHVYNQSWJE-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.58
Rot. Bonds4

About [2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazol-5-yl]-pyrrolidin-1-ylmethanone

[2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 134075272) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is [2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID134075272
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name[2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1cccc(-c2nc3c(s2)N(C(C)C)C(C(=O)N2CCCC2)C3)c1
InChIInChI=1S/C20H25N3O2S/c1-13(2)23-17(19(24)22-9-4-5-10-22)12-16-20(23)26-18(21-16)14-7-6-8-15(11-14)25-3/h6-8,11,13,17H,4-5,9-10,12H2,1-3H3
InChIKeyKHDZRHVYNQSWJE-UHFFFAOYSA-N
XLogP3.58
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazol-5-yl]-pyrrolidin-1-ylmethanone 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

N-[2-(dimethylamino)ethyl]-2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide
CID 131654206
2-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazole-5-carboxamide
CID 134080055
[4-(cyclopropylmethyl)-2-(3-methoxyphenyl)-5,6-dihydropyrrolo[3,2-d][1,3]thiazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 131652583
1-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxamide
CID 56922790
2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 55032419
cyclobutyl-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95809673
N-(2,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53060372
1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 3348960
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 42537522
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 22427421
[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 42569652
4-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methylpiperazine-2-carboxylic acid
CID 135095144

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazol-5-yl]-pyrrolidin-1-ylmethanone (CID 134075272) is [2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazol-5-yl]-pyrrolidin-1-ylmethanone is COc1cccc(-c2nc3c(s2)N(C(C)C)C(C(=O)N2CCCC2)C3)c1.
What is the InChIKey of [2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KHDZRHVYNQSWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-13(2)23-17(19(24)22-9-4-5-10-22)12-16-20(23)26-18(21-16)14-7-6-8-15(11-14)25-3/h6-8,11,13,17H,4-5,9-10,12H2,1-3H3.
What are the key properties of [2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazol-5-yl]-pyrrolidin-1-ylmethanone?
[2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 371.51 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyphenyl)-4-propan-2-yl-5,6-dihydropyrrolo[3,2-d][1,3]thiazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134075272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).