2-benzyl-4-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1,3-thiazole-5-carboxamide

C20H21N3O2S — CID 91641589

IUPAC2-benzyl-4-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)Nc1cccnc1OC(C)C
InChIInChI=1S/C20H21N3O2S/c1-13(2)25-20-16(10-7-11-21-20)23-19(24)18-14(3)22-17(26-18)12-15-8-5-4-6-9-15/h4-11,13H,12H2,1-3H3,(H,23,24)
InChIKeyMJXIAXKDTGURCK-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.48
Rot. Bonds6

About 2-benzyl-4-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1,3-thiazole-5-carboxamide

2-benzyl-4-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1,3-thiazole-5-carboxamide (PubChem CID 91641589) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-benzyl-4-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-4-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1,3-thiazole-5-carboxamide
PubChem CID91641589
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-benzyl-4-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)Nc1cccnc1OC(C)C
InChIInChI=1S/C20H21N3O2S/c1-13(2)25-20-16(10-7-11-21-20)23-19(24)18-14(3)22-17(26-18)12-15-8-5-4-6-9-15/h4-11,13H,12H2,1-3H3,(H,23,24)
InChIKeyMJXIAXKDTGURCK-UHFFFAOYSA-N
XLogP4.48
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 39084112
2-benzyl-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55657916
2-benzyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 39886571
2-benzyl-4-methyl-N-[4-(propanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55788388
2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide
CID 45154156
2-benzyl-4-methyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 55705154
2-benzyl-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 39084160
N-[3-(benzenesulfonamido)-4-methylphenyl]-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 55705974
N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 39084136
(2S)-2-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid
CID 119361483
2-benzyl-4-methyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-5-carboxamide
CID 52815770
2-amino-N-(2-methoxy-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55115300

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-benzyl-4-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1,3-thiazole-5-carboxamide (CID 91641589) is 2-benzyl-4-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-4-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-benzyl-4-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1,3-thiazole-5-carboxamide is Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cccnc1OC(C)C.
What is the InChIKey of 2-benzyl-4-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The InChIKey is MJXIAXKDTGURCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-13(2)25-20-16(10-7-11-21-20)23-19(24)18-14(3)22-17(26-18)12-15-8-5-4-6-9-15/h4-11,13H,12H2,1-3H3,(H,23,24).
What are the key properties of 2-benzyl-4-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1,3-thiazole-5-carboxamide?
2-benzyl-4-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1,3-thiazole-5-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91641589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).