2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide;molecular hydrogen

C17H18N4O2S2 — CID 142892951

IUPAC2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide;molecular hydrogen
SMILESCOc1cccc(CC(=O)Nc2nc(-c3ccnc(SC)n3)cs2)c1.[H][H]
InChIInChI=1S/C17H16N4O2S2.H2/c1-23-12-5-3-4-11(8-12)9-15(22)21-17-20-14(10-25-17)13-6-7-18-16(19-13)24-2;/h3-8,10H,9H2,1-2H3,(H,20,21,22);1H
InChIKeyFGLZPGNALKMICM-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.76
Rot. Bonds6

About 2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide;molecular hydrogen

2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide;molecular hydrogen (PubChem CID 142892951) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide;molecular hydrogen.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide;molecular hydrogen
PubChem CID142892951
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC Name2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide;molecular hydrogen
SMILESCOc1cccc(CC(=O)Nc2nc(-c3ccnc(SC)n3)cs2)c1.[H][H]
InChIInChI=1S/C17H16N4O2S2.H2/c1-23-12-5-3-4-11(8-12)9-15(22)21-17-20-14(10-25-17)13-6-7-18-16(19-13)24-2;/h3-8,10H,9H2,1-2H3,(H,20,21,22);1H
InChIKeyFGLZPGNALKMICM-UHFFFAOYSA-N
XLogP3.76
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-methoxyphenyl)-N-[4-(2-methoxy-4-pyridinyl)-1,3-thiazol-2-yl]acetamide
CID 24831672
2-(3-methoxyphenyl)-N-[4-[2-(methylamino)-4-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 24829572
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2090704
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-(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-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 16911472
2-(3-methoxyphenyl)-N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 16911422
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylsulfanylphenyl)acetamide
CID 18586800
2-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-N-(4-formyl-1,3-thiazol-2-yl)acetamide
CID 126737915
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 4263247

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide;molecular hydrogen?
The IUPAC name of 2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide;molecular hydrogen (CID 142892951) is 2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide;molecular hydrogen.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide;molecular hydrogen?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide;molecular hydrogen is COc1cccc(CC(=O)Nc2nc(-c3ccnc(SC)n3)cs2)c1.[H][H].
What is the InChIKey of 2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide;molecular hydrogen?
The InChIKey is FGLZPGNALKMICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S2.H2/c1-23-12-5-3-4-11(8-12)9-15(22)21-17-20-14(10-25-17)13-6-7-18-16(19-13)24-2;/h3-8,10H,9H2,1-2H3,(H,20,21,22);1H.
What are the key properties of 2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide;molecular hydrogen?
2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide;molecular hydrogen has a molecular weight of 374.49 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[4-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 142892951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).