(2R)-N-[5-[(dimethylamino)methyl]-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)propanamide

C21H27N5OS — CID 92627239

IUPAC(2R)-N-[5-[(dimethylamino)methyl]-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1ccc(-c2nc(NC(=O)[C@@H](C)n3nc(C)cc3C)sc2CN(C)C)cc1
InChIInChI=1S/C21H27N5OS/c1-13-7-9-17(10-8-13)19-18(12-25(5)6)28-21(22-19)23-20(27)16(4)26-15(3)11-14(2)24-26/h7-11,16H,12H2,1-6H3,(H,22,23,27)/t16-/m1/s1
InChIKeyBDWGUBXKVYXEMS-MRXNPFEDSA-N
MW397.55 g/mol
LogP4.19
Rot. Bonds6

About (2R)-N-[5-[(dimethylamino)methyl]-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)propanamide

(2R)-N-[5-[(dimethylamino)methyl]-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 92627239) has the molecular formula C21H27N5OS and a molecular weight of 397.55 g/mol. Its IUPAC name is (2R)-N-[5-[(dimethylamino)methyl]-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[5-[(dimethylamino)methyl]-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID92627239
Molecular FormulaC21H27N5OS
Molecular Weight397.55 g/mol
Exact Mass397.19
IUPAC Name(2R)-N-[5-[(dimethylamino)methyl]-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1ccc(-c2nc(NC(=O)[C@@H](C)n3nc(C)cc3C)sc2CN(C)C)cc1
InChIInChI=1S/C21H27N5OS/c1-13-7-9-17(10-8-13)19-18(12-25(5)6)28-21(22-19)23-20(27)16(4)26-15(3)11-14(2)24-26/h7-11,16H,12H2,1-6H3,(H,22,23,27)/t16-/m1/s1
InChIKeyBDWGUBXKVYXEMS-MRXNPFEDSA-N
XLogP4.19
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.55
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 47406603
2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
CID 131134395
2-(3,5-dimethylpyrazol-1-yl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
CID 56787187
(2S)-N-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 92627254
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide
CID 47986094
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 95623384
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534867
N-[5-chloro-2-(dimethylamino)phenyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 131935802
(2S)-N-(2-anilinoethyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 95980716
2-methyl-3-(methylamino)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide;hydrochloride
CID 119681505
N-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride
CID 119422814
2-(3,5-dimethylpyrazol-1-yl)-N-(5-ethyl-2-hydroxyphenyl)propanamide
CID 75391584

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-[(dimethylamino)methyl]-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of (2R)-N-[5-[(dimethylamino)methyl]-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)propanamide (CID 92627239) is (2R)-N-[5-[(dimethylamino)methyl]-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[5-[(dimethylamino)methyl]-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-[5-[(dimethylamino)methyl]-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)propanamide is Cc1ccc(-c2nc(NC(=O)[C@@H](C)n3nc(C)cc3C)sc2CN(C)C)cc1.
What is the InChIKey of (2R)-N-[5-[(dimethylamino)methyl]-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is BDWGUBXKVYXEMS-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H27N5OS/c1-13-7-9-17(10-8-13)19-18(12-25(5)6)28-21(22-19)23-20(27)16(4)26-15(3)11-14(2)24-26/h7-11,16H,12H2,1-6H3,(H,22,23,27)/t16-/m1/s1.
What are the key properties of (2R)-N-[5-[(dimethylamino)methyl]-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)propanamide?
(2R)-N-[5-[(dimethylamino)methyl]-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 397.55 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-[(dimethylamino)methyl]-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 92627239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).