N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C16H18ClN3O2S — CID 29457013

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cs1
InChIInChI=1S/C16H18ClN3O2S/c1-11-18-13(10-23-11)9-16(21)19-14-8-12(17)2-3-15(14)20-4-6-22-7-5-20/h2-3,8,10H,4-7,9H2,1H3,(H,19,21)
InChIKeyYDJABEAQSZBFSY-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.12
Rot. Bonds4

About N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 29457013) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID29457013
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cs1
InChIInChI=1S/C16H18ClN3O2S/c1-11-18-13(10-23-11)9-16(21)19-14-8-12(17)2-3-15(14)20-4-6-22-7-5-20/h2-3,8,10H,4-7,9H2,1H3,(H,19,21)
InChIKeyYDJABEAQSZBFSY-UHFFFAOYSA-N
XLogP3.12
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-morpholin-4-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 27286537
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 24664084
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18203923
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18198223
N-(5-bromo-2-morpholin-4-ylphenyl)-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 46686639
2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 17498046
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 27147502
N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 4852253
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 16597485
N-(5-chloro-2-morpholin-4-ylphenyl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 27895508
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 1094305
2-[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 29457013) is N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cs1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is YDJABEAQSZBFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c1-11-18-13(10-23-11)9-16(21)19-14-8-12(17)2-3-15(14)20-4-6-22-7-5-20/h2-3,8,10H,4-7,9H2,1H3,(H,19,21).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 351.86 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 29457013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).