2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide

C14H11N5OS — CID 58236218

IUPAC2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ncccn1)c1cnc(-c2cccnc2)s1
InChIInChI=1S/C14H11N5OS/c20-13(18-9-12-16-5-2-6-17-12)11-8-19-14(21-11)10-3-1-4-15-7-10/h1-8H,9H2,(H,18,20)
InChIKeyLXNSIDOXSYPMPU-UHFFFAOYSA-N
MW297.34 g/mol
LogP1.93
Rot. Bonds4

About 2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide

2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 58236218) has the molecular formula C14H11N5OS and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID58236218
Molecular FormulaC14H11N5OS
Molecular Weight297.34 g/mol
Exact Mass297.07
IUPAC Name2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ncccn1)c1cnc(-c2cccnc2)s1
InChIInChI=1S/C14H11N5OS/c20-13(18-9-12-16-5-2-6-17-12)11-8-19-14(21-11)10-3-1-4-15-7-10/h1-8H,9H2,(H,18,20)
InChIKeyLXNSIDOXSYPMPU-UHFFFAOYSA-N
XLogP1.93
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 58236218) is 2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide is O=C(NCc1ncccn1)c1cnc(-c2cccnc2)s1.
What is the InChIKey of 2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is LXNSIDOXSYPMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS/c20-13(18-9-12-16-5-2-6-17-12)11-8-19-14(21-11)10-3-1-4-15-7-10/h1-8H,9H2,(H,18,20).
What are the key properties of 2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 297.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58236218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).