2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide

C16H19N3O2S2 — CID 3264830

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1csc(SCC(=O)Nc2ccccc2N2CCOCC2)n1
InChIInChI=1S/C16H19N3O2S2/c1-12-10-22-16(17-12)23-11-15(20)18-13-4-2-3-5-14(13)19-6-8-21-9-7-19/h2-5,10H,6-9,11H2,1H3,(H,18,20)
InChIKeyBTAKMRCCMRNITB-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.02
Rot. Bonds5

About 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 3264830) has the molecular formula C16H19N3O2S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID3264830
Molecular FormulaC16H19N3O2S2
Molecular Weight349.48 g/mol
Exact Mass349.09
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCc1csc(SCC(=O)Nc2ccccc2N2CCOCC2)n1
InChIInChI=1S/C16H19N3O2S2/c1-12-10-22-16(17-12)23-11-15(20)18-13-4-2-3-5-14(13)19-6-8-21-9-7-19/h2-5,10H,6-9,11H2,1H3,(H,18,20)
InChIKeyBTAKMRCCMRNITB-UHFFFAOYSA-N
XLogP3.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3952616
N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3569422
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
N-(2,3-dimethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532833
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 134065412
methyl 2-[[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]benzoate
CID 2533012
2-(3-cyano-6,7-dimethylquinolin-2-yl)sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 43811398
2-(2,6-dimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109007545
N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108956543
2-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 2813228
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 55343273
2-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 1171997

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide (CID 3264830) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide is Cc1csc(SCC(=O)Nc2ccccc2N2CCOCC2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is BTAKMRCCMRNITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S2/c1-12-10-22-16(17-12)23-11-15(20)18-13-4-2-3-5-14(13)19-6-8-21-9-7-19/h2-5,10H,6-9,11H2,1H3,(H,18,20).
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 349.48 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 3264830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).