2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide

C16H15N5OS — CID 11638418

IUPAC2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2nc(C)sc2Nc2cccnc2)ccn1
InChIInChI=1S/C16H15N5OS/c1-10-8-12(5-7-18-10)20-15(22)14-16(23-11(2)19-14)21-13-4-3-6-17-9-13/h3-9,21H,1-2H3,(H,18,20,22)
InChIKeyXBOMZYPAUTYJQT-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.55
Rot. Bonds4

About 2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide

2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 11638418) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID11638418
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2nc(C)sc2Nc2cccnc2)ccn1
InChIInChI=1S/C16H15N5OS/c1-10-8-12(5-7-18-10)20-15(22)14-16(23-11(2)19-14)21-13-4-3-6-17-9-13/h3-9,21H,1-2H3,(H,18,20,22)
InChIKeyXBOMZYPAUTYJQT-UHFFFAOYSA-N
XLogP3.55
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide (CID 11638418) is 2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide is Cc1cc(NC(=O)c2nc(C)sc2Nc2cccnc2)ccn1.
What is the InChIKey of 2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is XBOMZYPAUTYJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-10-8-12(5-7-18-10)20-15(22)14-16(23-11(2)19-14)21-13-4-3-6-17-9-13/h3-9,21H,1-2H3,(H,18,20,22).
What are the key properties of 2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide?
2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 325.40 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11638418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).