[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone

C16H17Cl2N3O2S — CID 91644564

IUPAC[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
SMILESCNc1snc(C)c1C(=O)N1CCC(Oc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H17Cl2N3O2S/c1-9-14(15(19-2)24-20-9)16(22)21-6-5-11(8-21)23-10-3-4-12(17)13(18)7-10/h3-4,7,11,19H,5-6,8H2,1-2H3
InChIKeyIIJWPXLOJJDOHX-UHFFFAOYSA-N
MW386.30 g/mol
LogP4.09
Rot. Bonds4

About [3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone

[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone (PubChem CID 91644564) has the molecular formula C16H17Cl2N3O2S and a molecular weight of 386.30 g/mol. Its IUPAC name is [3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
PubChem CID91644564
Molecular FormulaC16H17Cl2N3O2S
Molecular Weight386.30 g/mol
Exact Mass385.04
IUPAC Name[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
SMILESCNc1snc(C)c1C(=O)N1CCC(Oc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H17Cl2N3O2S/c1-9-14(15(19-2)24-20-9)16(22)21-6-5-11(8-21)23-10-3-4-12(17)13(18)7-10/h3-4,7,11,19H,5-6,8H2,1-2H3
InChIKeyIIJWPXLOJJDOHX-UHFFFAOYSA-N
XLogP4.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone 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

[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 27449294
[4-(aminomethyl)phenyl]-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119341930
[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119341914
[2-(aminomethyl)-1,3-thiazol-4-yl]-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119815621
(1-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 119341932
[(2S)-1-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-1-oxopropan-2-yl]urea
CID 136580930
[1-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 55955315
(3-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone
CID 119815606
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 34676483
3-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 162663101
2-amino-1-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120796027
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 27449003

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
The IUPAC name of [3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone (CID 91644564) is [3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone.
What is the SMILES notation for [3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
The canonical SMILES for [3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone is CNc1snc(C)c1C(=O)N1CCC(Oc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
The InChIKey is IIJWPXLOJJDOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2S/c1-9-14(15(19-2)24-20-9)16(22)21-6-5-11(8-21)23-10-3-4-12(17)13(18)7-10/h3-4,7,11,19H,5-6,8H2,1-2H3.
What are the key properties of [3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone has a molecular weight of 386.30 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone is sourced from PubChem (CID 91644564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).