[1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

C20H23ClN4O3S — CID 42814263

IUPAC[1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(Cl)cc1Nc1nc(C(=O)N2CCCC2C(=O)N2CCOCC2)cs1
InChIInChI=1S/C20H23ClN4O3S/c1-13-4-5-14(21)11-15(13)22-20-23-16(12-29-20)18(26)25-6-2-3-17(25)19(27)24-7-9-28-10-8-24/h4-5,11-12,17H,2-3,6-10H2,1H3,(H,22,23)
InChIKeyYULBLAZOYOPXMY-UHFFFAOYSA-N
MW434.95 g/mol
LogP3.31
Rot. Bonds4

About [1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

[1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 42814263) has the molecular formula C20H23ClN4O3S and a molecular weight of 434.95 g/mol. Its IUPAC name is [1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID42814263
Molecular FormulaC20H23ClN4O3S
Molecular Weight434.95 g/mol
Exact Mass434.12
IUPAC Name[1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(Cl)cc1Nc1nc(C(=O)N2CCCC2C(=O)N2CCOCC2)cs1
InChIInChI=1S/C20H23ClN4O3S/c1-13-4-5-14(21)11-15(13)22-20-23-16(12-29-20)18(26)25-6-2-3-17(25)19(27)24-7-9-28-10-8-24/h4-5,11-12,17H,2-3,6-10H2,1H3,(H,22,23)
InChIKeyYULBLAZOYOPXMY-UHFFFAOYSA-N
XLogP3.31
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.95
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 93307139
1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 46137292
[1-[2-(butylamino)-1,3-thiazole-4-carbonyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 42813439
(3R)-1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 93306855
N-benzyl-2-(5-chloro-2-methylanilino)-N-(3-morpholin-4-yl-3-oxopropyl)-1,3-thiazole-4-carboxamide
CID 46137258
[(2S)-1-[5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110305923
(2R)-1-[2-(2,3-dichloroanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 93306573
[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 4222905
2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 42814213
1-[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 84550167
1-(4-chlorophenyl)-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butane-1,4-dione
CID 110305907
[2-(5-chloro-2-methylanilino)-6-methylpyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109334052

Frequently Asked Questions

What is the IUPAC name of [1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 42814263) is [1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is Cc1ccc(Cl)cc1Nc1nc(C(=O)N2CCCC2C(=O)N2CCOCC2)cs1.
What is the InChIKey of [1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is YULBLAZOYOPXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3S/c1-13-4-5-14(21)11-15(13)22-20-23-16(12-29-20)18(26)25-6-2-3-17(25)19(27)24-7-9-28-10-8-24/h4-5,11-12,17H,2-3,6-10H2,1H3,(H,22,23).
What are the key properties of [1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 434.95 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42814263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).