2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]ethyl]acetamide

C20H25N5O2S — CID 92554601

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]ethyl]acetamide
SMILESCc1cc(-c2cnc(C(C)C)nc2CCNC(=O)Cc2sc(C)nc2C)on1
InChIInChI=1S/C20H25N5O2S/c1-11(2)20-22-10-15(17-8-12(3)25-27-17)16(24-20)6-7-21-19(26)9-18-13(4)23-14(5)28-18/h8,10-11H,6-7,9H2,1-5H3,(H,21,26)
InChIKeyRCRWGWCMTMQSPO-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.54
Rot. Bonds7

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]ethyl]acetamide

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]ethyl]acetamide (PubChem CID 92554601) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]ethyl]acetamide
PubChem CID92554601
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]ethyl]acetamide
SMILESCc1cc(-c2cnc(C(C)C)nc2CCNC(=O)Cc2sc(C)nc2C)on1
InChIInChI=1S/C20H25N5O2S/c1-11(2)20-22-10-15(17-8-12(3)25-27-17)16(24-20)6-7-21-19(26)9-18-13(4)23-14(5)28-18/h8,10-11H,6-7,9H2,1-5H3,(H,21,26)
InChIKeyRCRWGWCMTMQSPO-UHFFFAOYSA-N
XLogP3.54
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 95209682
N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]cyclohex-3-ene-1-carboxamide
CID 110215823
N-methyl-N-[[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]oxolane-3-carboxamide
CID 110245531
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-methoxypropyl)acetamide
CID 110328764
5-ethyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]-1,2-oxazole-3-carboxamide
CID 98134577
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 77078700
trans-(1S,2S)-2-methyl-N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 98134572
2-(4-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide;dihydrochloride
CID 119882678
N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide
CID 110238892
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propylpropanamide
CID 110678784
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)propanamide
CID 110678797
N-[2-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110215824

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]ethyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]ethyl]acetamide (CID 92554601) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]ethyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]ethyl]acetamide is Cc1cc(-c2cnc(C(C)C)nc2CCNC(=O)Cc2sc(C)nc2C)on1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]ethyl]acetamide?
The InChIKey is RCRWGWCMTMQSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-11(2)20-22-10-15(17-8-12(3)25-27-17)16(24-20)6-7-21-19(26)9-18-13(4)23-14(5)28-18/h8,10-11H,6-7,9H2,1-5H3,(H,21,26).
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]ethyl]acetamide?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]ethyl]acetamide has a molecular weight of 399.52 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]ethyl]acetamide is sourced from PubChem (CID 92554601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).