2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide

C18H18N4O2S — CID 24829572

IUPAC2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
SMILESCNc1cc(-c2csc(NC(=O)Cc3cccc(OC)c3)n2)ccn1
InChIInChI=1S/C18H18N4O2S/c1-19-16-10-13(6-7-20-16)15-11-25-18(21-15)22-17(23)9-12-4-3-5-14(8-12)24-2/h3-8,10-11H,9H2,1-2H3,(H,19,20)(H,21,22,23)
InChIKeyLMRBHLOXIRMINE-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.44
Rot. Bonds6

About 2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide

2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 24829572) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
PubChem CID24829572
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
SMILESCNc1cc(-c2csc(NC(=O)Cc3cccc(OC)c3)n2)ccn1
InChIInChI=1S/C18H18N4O2S/c1-19-16-10-13(6-7-20-16)15-11-25-18(21-15)22-17(23)9-12-4-3-5-14(8-12)24-2/h3-8,10-11H,9H2,1-2H3,(H,19,20)(H,21,22,23)
InChIKeyLMRBHLOXIRMINE-UHFFFAOYSA-N
XLogP3.44
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-methoxyphenyl)-N-[4-(2-methoxy-4-pyridinyl)-1,3-thiazol-2-yl]acetamide
CID 24831672
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2550621
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 7915494
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 86578418
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2090704
2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide;molecular hydrogen
CID 142892951
N-[4-(4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 11531053
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 16911472
2-(4-ethylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196482
2-(3-methoxyphenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 16911422
1-[(3-methoxyphenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea;hydrochloride
CID 87406316
2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 4800365

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide (CID 24829572) is 2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide is CNc1cc(-c2csc(NC(=O)Cc3cccc(OC)c3)n2)ccn1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is LMRBHLOXIRMINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-19-16-10-13(6-7-20-16)15-11-25-18(21-15)22-17(23)9-12-4-3-5-14(8-12)24-2/h3-8,10-11H,9H2,1-2H3,(H,19,20)(H,21,22,23).
What are the key properties of 2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide?
2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 354.44 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 24829572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).