2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-3H-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

C19H21N7O3S — CID 145494862

IUPAC2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-3H-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2C=NN(Cc3c(C)noc3C)C2O)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C19H21N7O3S/c1-11-15(13(3)29-24-11)9-26-19(28)25(10-22-26)18-23-12(2)16(30-18)17(27)21-8-14-5-4-6-20-7-14/h4-7,10,19,28H,8-9H2,1-3H3,(H,21,27)
InChIKeyNOOSYVCZQWVNGR-UHFFFAOYSA-N
MW427.49 g/mol
LogP1.92
Rot. Bonds6

About 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-3H-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide

2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-3H-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 145494862) has the molecular formula C19H21N7O3S and a molecular weight of 427.49 g/mol. Its IUPAC name is 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-3H-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-3H-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID145494862
Molecular FormulaC19H21N7O3S
Molecular Weight427.49 g/mol
Exact Mass427.14
IUPAC Name2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-3H-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N2C=NN(Cc3c(C)noc3C)C2O)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C19H21N7O3S/c1-11-15(13(3)29-24-11)9-26-19(28)25(10-22-26)18-23-12(2)16(30-18)17(27)21-8-14-5-4-6-20-7-14/h4-7,10,19,28H,8-9H2,1-3H3,(H,21,27)
InChIKeyNOOSYVCZQWVNGR-UHFFFAOYSA-N
XLogP1.92
TPSA119.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-3H-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118766521
2-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24512542
7-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134079624
4-methyl-2-[4-(3-phenylpropyl)triazol-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24958965
2-[3-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24801840
2-(1-ethylpyrazol-3-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 123928883
2-[acetyl(benzyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 51048692
2-[2-(cyclopropylmethylamino)ethylamino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 89233057
N-[(3S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-2-pyridin-3-ylacetamide
CID 164632888
2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 53200013
3,5-dimethyl-4-[[2-(pyridin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,2-oxazole
CID 131697561
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-pyridin-3-ylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118795473

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-3H-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-3H-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 145494862) is 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-3H-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-3H-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-3H-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(N2C=NN(Cc3c(C)noc3C)C2O)sc1C(=O)NCc1cccnc1.
What is the InChIKey of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-3H-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is NOOSYVCZQWVNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O3S/c1-11-15(13(3)29-24-11)9-26-19(28)25(10-22-26)18-23-12(2)16(30-18)17(27)21-8-14-5-4-6-20-7-14/h4-7,10,19,28H,8-9H2,1-3H3,(H,21,27).
What are the key properties of 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-3H-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide?
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-3H-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 427.49 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxy-3H-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 145494862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).