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

C15H14N6OS — CID 11595030

IUPAC2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2nc(C)sc2Nc2cncnc2)ccn1
InChIInChI=1S/C15H14N6OS/c1-9-5-11(3-4-18-9)20-14(22)13-15(23-10(2)19-13)21-12-6-16-8-17-7-12/h3-8,21H,1-2H3,(H,18,20,22)
InChIKeyMQUBOVHAWNJYNE-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.94
Rot. Bonds4

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

2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 11595030) has the molecular formula C15H14N6OS and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID11595030
Molecular FormulaC15H14N6OS
Molecular Weight326.39 g/mol
Exact Mass326.09
IUPAC Name2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2nc(C)sc2Nc2cncnc2)ccn1
InChIInChI=1S/C15H14N6OS/c1-9-5-11(3-4-18-9)20-14(22)13-15(23-10(2)19-13)21-12-6-16-8-17-7-12/h3-8,21H,1-2H3,(H,18,20,22)
InChIKeyMQUBOVHAWNJYNE-UHFFFAOYSA-N
XLogP2.94
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide (CID 11595030) is 2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide is Cc1cc(NC(=O)c2nc(C)sc2Nc2cncnc2)ccn1.
What is the InChIKey of 2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is MQUBOVHAWNJYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6OS/c1-9-5-11(3-4-18-9)20-14(22)13-15(23-10(2)19-13)21-12-6-16-8-17-7-12/h3-8,21H,1-2H3,(H,18,20,22).
What are the key properties of 2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide?
2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 326.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-4-pyridinyl)-5-(pyrimidin-5-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11595030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).