(1-benzylimidazol-2-yl)methyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate

C20H17N5O2S — CID 71930613

IUPAC(1-benzylimidazol-2-yl)methyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate
SMILESO=C(OCc1nccn1Cc1ccccc1)c1csc(Nc2ccccn2)n1
InChIInChI=1S/C20H17N5O2S/c26-19(16-14-28-20(23-16)24-17-8-4-5-9-21-17)27-13-18-22-10-11-25(18)12-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,21,23,24)
InChIKeySOSJGHMWQZOBBE-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.88
Rot. Bonds7

About (1-benzylimidazol-2-yl)methyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate

(1-benzylimidazol-2-yl)methyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate (PubChem CID 71930613) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is (1-benzylimidazol-2-yl)methyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(1-benzylimidazol-2-yl)methyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate
PubChem CID71930613
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC Name(1-benzylimidazol-2-yl)methyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate
SMILESO=C(OCc1nccn1Cc1ccccc1)c1csc(Nc2ccccn2)n1
InChIInChI=1S/C20H17N5O2S/c26-19(16-14-28-20(23-16)24-17-8-4-5-9-21-17)27-13-18-22-10-11-25(18)12-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,21,23,24)
InChIKeySOSJGHMWQZOBBE-UHFFFAOYSA-N
XLogP3.88
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1-benzylimidazol-2-yl)methyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of (1-benzylimidazol-2-yl)methyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate (CID 71930613) is (1-benzylimidazol-2-yl)methyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (1-benzylimidazol-2-yl)methyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for (1-benzylimidazol-2-yl)methyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate is O=C(OCc1nccn1Cc1ccccc1)c1csc(Nc2ccccn2)n1.
What is the InChIKey of (1-benzylimidazol-2-yl)methyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is SOSJGHMWQZOBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c26-19(16-14-28-20(23-16)24-17-8-4-5-9-21-17)27-13-18-22-10-11-25(18)12-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,21,23,24).
What are the key properties of (1-benzylimidazol-2-yl)methyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate?
(1-benzylimidazol-2-yl)methyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 391.46 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylimidazol-2-yl)methyl 2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 71930613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).