2-[2-[2-[[(2S)-4-[(3-chloro-2-fluorocyclohexa-2,4-dien-1-yl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide

C19H24ClFN4O3S2 — CID 71190631

IUPAC2-[2-[2-[[(2S)-4-[(3-chloro-2-fluorocyclohexa-2,4-dien-1-yl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
SMILESNC(=O)Cc1csc(SCC(=O)NC[C@H]2CN(CC3CC=CC(Cl)=C3F)CCO2)n1
InChIInChI=1S/C19H24ClFN4O3S2/c20-15-3-1-2-12(18(15)21)8-25-4-5-28-14(9-25)7-23-17(27)11-30-19-24-13(10-29-19)6-16(22)26/h1,3,10,12,14H,2,4-9,11H2,(H2,22,26)(H,23,27)/t12?,14-/m0/s1
InChIKeyMUILBDLYEOHOFX-PYMCNQPYSA-N
MW475.01 g/mol
LogP2.08
Rot. Bonds9

About 2-[2-[2-[[(2S)-4-[(3-chloro-2-fluorocyclohexa-2,4-dien-1-yl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide

2-[2-[2-[[(2S)-4-[(3-chloro-2-fluorocyclohexa-2,4-dien-1-yl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide (PubChem CID 71190631) has the molecular formula C19H24ClFN4O3S2 and a molecular weight of 475.01 g/mol. Its IUPAC name is 2-[2-[2-[[(2S)-4-[(3-chloro-2-fluorocyclohexa-2,4-dien-1-yl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-[2-[[(2S)-4-[(3-chloro-2-fluorocyclohexa-2,4-dien-1-yl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
PubChem CID71190631
Molecular FormulaC19H24ClFN4O3S2
Molecular Weight475.01 g/mol
Exact Mass474.10
IUPAC Name2-[2-[2-[[(2S)-4-[(3-chloro-2-fluorocyclohexa-2,4-dien-1-yl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
SMILESNC(=O)Cc1csc(SCC(=O)NC[C@H]2CN(CC3CC=CC(Cl)=C3F)CCO2)n1
InChIInChI=1S/C19H24ClFN4O3S2/c20-15-3-1-2-12(18(15)21)8-25-4-5-28-14(9-25)7-23-17(27)11-30-19-24-13(10-29-19)6-16(22)26/h1,3,10,12,14H,2,4-9,11H2,(H2,22,26)(H,23,27)/t12?,14-/m0/s1
InChIKeyMUILBDLYEOHOFX-PYMCNQPYSA-N
XLogP2.08
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.01
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[2-[[(2S)-4-[(3-chloro-2-fluorocyclohexa-2,4-dien-1-yl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide with MolForge

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Related Compounds

2-[2-[2-[[(2S)-4-[(3-fluorocyclohexa-2,4-dien-1-yl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 71190664
2-[2-[2-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 67170583
2-[2-[2-[[(2S)-4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 59009098
2-[2-[2-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 67169927
2-[2-[2-[[(2S)-4-[(4-chloro-3-fluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 59009172
ethyl 2-[2-[2-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 67168673
4-[[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]sulfanyl]-N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]butanamide;hydrochloride
CID 67168889
2-[2-[[(2S)-4-[(3,4-difluorocyclohexa-2,4-dien-1-yl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazole-4-carboxylic acid
CID 71004169
2-[2-[[4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazole-4-carboxamide
CID 67168476
N-(2-amino-2-oxoethyl)-2-[2-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazole-4-carboxamide
CID 57450128
2-[2-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazole-4-carboxylic acid
CID 59009203
N-[[(2S)-4-[(3-chloro-4-fluorophenyl)methyl]morpholin-2-yl]methyl]-2-[(4-cyano-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 67168748

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[(2S)-4-[(3-chloro-2-fluorocyclohexa-2,4-dien-1-yl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?
The IUPAC name of 2-[2-[2-[[(2S)-4-[(3-chloro-2-fluorocyclohexa-2,4-dien-1-yl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide (CID 71190631) is 2-[2-[2-[[(2S)-4-[(3-chloro-2-fluorocyclohexa-2,4-dien-1-yl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for 2-[2-[2-[[(2S)-4-[(3-chloro-2-fluorocyclohexa-2,4-dien-1-yl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for 2-[2-[2-[[(2S)-4-[(3-chloro-2-fluorocyclohexa-2,4-dien-1-yl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide is NC(=O)Cc1csc(SCC(=O)NC[C@H]2CN(CC3CC=CC(Cl)=C3F)CCO2)n1.
What is the InChIKey of 2-[2-[2-[[(2S)-4-[(3-chloro-2-fluorocyclohexa-2,4-dien-1-yl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?
The InChIKey is MUILBDLYEOHOFX-PYMCNQPYSA-N. The full InChI is InChI=1S/C19H24ClFN4O3S2/c20-15-3-1-2-12(18(15)21)8-25-4-5-28-14(9-25)7-23-17(27)11-30-19-24-13(10-29-19)6-16(22)26/h1,3,10,12,14H,2,4-9,11H2,(H2,22,26)(H,23,27)/t12?,14-/m0/s1.
What are the key properties of 2-[2-[2-[[(2S)-4-[(3-chloro-2-fluorocyclohexa-2,4-dien-1-yl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide?
2-[2-[2-[[(2S)-4-[(3-chloro-2-fluorocyclohexa-2,4-dien-1-yl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide has a molecular weight of 475.01 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[(2S)-4-[(3-chloro-2-fluorocyclohexa-2,4-dien-1-yl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 71190631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).