[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone

C20H23N5O2S — CID 138377611

IUPAC[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
SMILESCc1noc(C)c1-c1nc2c(s1)CCC(C(=O)N1CCc3n[nH]c(C)c3C1)C2
InChIInChI=1S/C20H23N5O2S/c1-10-14-9-25(7-6-15(14)23-22-10)20(26)13-4-5-17-16(8-13)21-19(28-17)18-11(2)24-27-12(18)3/h13H,4-9H2,1-3H3,(H,22,23)
InChIKeyXJNREZQELDGHGZ-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.14
Rot. Bonds2

About [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone

[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone (PubChem CID 138377611) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
PubChem CID138377611
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
SMILESCc1noc(C)c1-c1nc2c(s1)CCC(C(=O)N1CCc3n[nH]c(C)c3C1)C2
InChIInChI=1S/C20H23N5O2S/c1-10-14-9-25(7-6-15(14)23-22-10)20(26)13-4-5-17-16(8-13)21-19(28-17)18-11(2)24-27-12(18)3/h13H,4-9H2,1-3H3,(H,22,23)
InChIKeyXJNREZQELDGHGZ-UHFFFAOYSA-N
XLogP3.14
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
The IUPAC name of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone (CID 138377611) is [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone.
What is the SMILES notation for [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
The canonical SMILES for [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone is Cc1noc(C)c1-c1nc2c(s1)CCC(C(=O)N1CCc3n[nH]c(C)c3C1)C2.
What is the InChIKey of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
The InChIKey is XJNREZQELDGHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-10-14-9-25(7-6-15(14)23-22-10)20(26)13-4-5-17-16(8-13)21-19(28-17)18-11(2)24-27-12(18)3/h13H,4-9H2,1-3H3,(H,22,23).
What are the key properties of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?
[2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone has a molecular weight of 397.50 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethyl-1,2-oxazol-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-5-yl]-(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone is sourced from PubChem (CID 138377611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).