2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide

C20H21N3OS — CID 95209344

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
SMILESCc1ccc([C@H](NC(=O)Cc2nc(C)sc2C)c2ccncc2)cc1
InChIInChI=1S/C20H21N3OS/c1-13-4-6-16(7-5-13)20(17-8-10-21-11-9-17)23-19(24)12-18-14(2)25-15(3)22-18/h4-11,20H,12H2,1-3H3,(H,23,24)/t20-/m0/s1
InChIKeyMFCNOIROJTWXNQ-FQEVSTJZSA-N
MW351.48 g/mol
LogP3.91
Rot. Bonds5

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide

2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide (PubChem CID 95209344) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
PubChem CID95209344
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
SMILESCc1ccc([C@H](NC(=O)Cc2nc(C)sc2C)c2ccncc2)cc1
InChIInChI=1S/C20H21N3OS/c1-13-4-6-16(7-5-13)20(17-8-10-21-11-9-17)23-19(24)12-18-14(2)25-15(3)22-18/h4-11,20H,12H2,1-3H3,(H,23,24)/t20-/m0/s1
InChIKeyMFCNOIROJTWXNQ-FQEVSTJZSA-N
XLogP3.91
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]-2-pyrrolidin-1-ylacetamide
CID 124751214
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 91834910
2-(4-ethylpiperazin-1-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 99991788
2-(4-methylphenyl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17168099
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(4-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 131896793
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(4-methoxyphenyl)acetamide
CID 110440139
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-phenylacetamide
CID 110442330
N-[(4-methylphenyl)-pyridin-4-ylmethyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 77082497
1-(methoxymethyl)-N-[(4-methylphenyl)-pyridin-4-ylmethyl]cyclobutane-1-carboxamide
CID 50965643
2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide
CID 125161673
N-[(S)-(4-chlorophenyl)-pyridin-4-ylmethyl]-2-(methylamino)acetamide
CID 95555613
2-ethyl-N-[(4-methylphenyl)-pyridin-4-ylmethyl]pyrimidine-5-carboxamide
CID 72879802

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide (CID 95209344) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide is Cc1ccc([C@H](NC(=O)Cc2nc(C)sc2C)c2ccncc2)cc1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide?
The InChIKey is MFCNOIROJTWXNQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-13-4-6-16(7-5-13)20(17-8-10-21-11-9-17)23-19(24)12-18-14(2)25-15(3)22-18/h4-11,20H,12H2,1-3H3,(H,23,24)/t20-/m0/s1.
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide has a molecular weight of 351.48 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(S)-(4-methylphenyl)-pyridin-4-ylmethyl]acetamide is sourced from PubChem (CID 95209344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).