3-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

C16H18ClN3O2S — CID 162663101

IUPAC3-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCC(Oc3ccc(Cl)c(C)c3)C2)s1
InChIInChI=1S/C16H18ClN3O2S/c1-10-7-12(3-4-14(10)17)22-13-5-6-20(9-13)16(21)19-15-18-8-11(2)23-15/h3-4,7-8,13H,5-6,9H2,1-2H3,(H,18,19,21)
InChIKeyALZWHRMBAZQMET-UHFFFAOYSA-N
MW351.86 g/mol
LogP4.10
Rot. Bonds3

About 3-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

3-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 162663101) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is 3-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID162663101
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC Name3-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCC(Oc3ccc(Cl)c(C)c3)C2)s1
InChIInChI=1S/C16H18ClN3O2S/c1-10-7-12(3-4-14(10)17)22-13-5-6-20(9-13)16(21)19-15-18-8-11(2)23-15/h3-4,7-8,13H,5-6,9H2,1-2H3,(H,18,19,21)
InChIKeyALZWHRMBAZQMET-UHFFFAOYSA-N
XLogP4.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-methylanilino)-N-(5-methyl-1,3-thiazol-2-yl)azetidine-1-carboxamide
CID 162672664
4-(4-chloro-3-methylphenoxy)-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 155518985
4-(4-chloro-3-methylphenoxy)-2,2-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 155551296
(3R)-3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 162665615
(3S)-3-(4-chloro-3-methylanilino)-N-(5-chloro-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 162663345
4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 162643725
[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 91644564
1-[(3S)-3-[1-chloro-4-(2-methylphenyl)isoquinolin-7-yl]oxypyrrolidin-1-yl]ethanone
CID 167498375
4-benzylsulfonyl-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 119105567
4-(3,5-dioxomorpholin-4-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 138988958
[(2S)-1-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-1-oxopropan-2-yl]urea
CID 136580930
(3-aminocyclopentyl)-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]methanone
CID 119815606

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (CID 162663101) is 3-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is Cc1cnc(NC(=O)N2CCC(Oc3ccc(Cl)c(C)c3)C2)s1.
What is the InChIKey of 3-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is ALZWHRMBAZQMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c1-10-7-12(3-4-14(10)17)22-13-5-6-20(9-13)16(21)19-15-18-8-11(2)23-15/h3-4,7-8,13H,5-6,9H2,1-2H3,(H,18,19,21).
What are the key properties of 3-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
3-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 351.86 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 162663101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).