2-chloro-N-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]-4-fluorobenzamide

C20H24ClFN4O3S — CID 55758734

IUPAC2-chloro-N-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]-4-fluorobenzamide
SMILESCC1CN(Cc2csc(NC(=O)CCNC(=O)c3ccc(F)cc3Cl)n2)CC(C)O1
InChIInChI=1S/C20H24ClFN4O3S/c1-12-8-26(9-13(2)29-12)10-15-11-30-20(24-15)25-18(27)5-6-23-19(28)16-4-3-14(22)7-17(16)21/h3-4,7,11-13H,5-6,8-10H2,1-2H3,(H,23,28)(H,24,25,27)
InChIKeyOCYNQSYPVCRICQ-UHFFFAOYSA-N
MW454.96 g/mol
LogP3.30
Rot. Bonds7

About 2-chloro-N-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]-4-fluorobenzamide

2-chloro-N-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]-4-fluorobenzamide (PubChem CID 55758734) has the molecular formula C20H24ClFN4O3S and a molecular weight of 454.96 g/mol. Its IUPAC name is 2-chloro-N-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]-4-fluorobenzamide
PubChem CID55758734
Molecular FormulaC20H24ClFN4O3S
Molecular Weight454.96 g/mol
Exact Mass454.12
IUPAC Name2-chloro-N-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]-4-fluorobenzamide
SMILESCC1CN(Cc2csc(NC(=O)CCNC(=O)c3ccc(F)cc3Cl)n2)CC(C)O1
InChIInChI=1S/C20H24ClFN4O3S/c1-12-8-26(9-13(2)29-12)10-15-11-30-20(24-15)25-18(27)5-6-23-19(28)16-4-3-14(22)7-17(16)21/h3-4,7,11-13H,5-6,8-10H2,1-2H3,(H,23,28)(H,24,25,27)
InChIKeyOCYNQSYPVCRICQ-UHFFFAOYSA-N
XLogP3.30
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-difluorophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide
CID 86948076
4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pentanamide
CID 120564439
4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride
CID 119840495
N-[4-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 55519150
5-acetamido-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 60570943
N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 42933420
2-chloro-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 55520784
2-(4-aminophenyl)-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 119840436
N-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 30216768
2,4-dichloro-N-[2-[[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 25489845
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 30196157
N-[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(5-methyl-3-pyridinyl)propanamide
CID 124731109

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]-4-fluorobenzamide (CID 55758734) is 2-chloro-N-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]-4-fluorobenzamide is CC1CN(Cc2csc(NC(=O)CCNC(=O)c3ccc(F)cc3Cl)n2)CC(C)O1.
What is the InChIKey of 2-chloro-N-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]-4-fluorobenzamide?
The InChIKey is OCYNQSYPVCRICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN4O3S/c1-12-8-26(9-13(2)29-12)10-15-11-30-20(24-15)25-18(27)5-6-23-19(28)16-4-3-14(22)7-17(16)21/h3-4,7,11-13H,5-6,8-10H2,1-2H3,(H,23,28)(H,24,25,27).
What are the key properties of 2-chloro-N-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]-4-fluorobenzamide?
2-chloro-N-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]-4-fluorobenzamide has a molecular weight of 454.96 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]-4-fluorobenzamide is sourced from PubChem (CID 55758734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).