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

C14H12N6OS — CID 58236173

IUPAC4-methyl-2-pyrimidin-5-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cncnc2)sc1C(=O)NCc1ncccn1
InChIInChI=1S/C14H12N6OS/c1-9-12(13(21)19-7-11-17-3-2-4-18-11)22-14(20-9)10-5-15-8-16-6-10/h2-6,8H,7H2,1H3,(H,19,21)
InChIKeyXGBBABPOXMXSTA-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.63
Rot. Bonds4

About 4-methyl-2-pyrimidin-5-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide

4-methyl-2-pyrimidin-5-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 58236173) has the molecular formula C14H12N6OS and a molecular weight of 312.36 g/mol. Its IUPAC name is 4-methyl-2-pyrimidin-5-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-pyrimidin-5-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID58236173
Molecular FormulaC14H12N6OS
Molecular Weight312.36 g/mol
Exact Mass312.08
IUPAC Name4-methyl-2-pyrimidin-5-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cncnc2)sc1C(=O)NCc1ncccn1
InChIInChI=1S/C14H12N6OS/c1-9-12(13(21)19-7-11-17-3-2-4-18-11)22-14(20-9)10-5-15-8-16-6-10/h2-6,8H,7H2,1H3,(H,19,21)
InChIKeyXGBBABPOXMXSTA-UHFFFAOYSA-N
XLogP1.63
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyrimidin-5-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-pyrimidin-5-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 58236173) is 4-methyl-2-pyrimidin-5-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-pyrimidin-5-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-pyrimidin-5-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2cncnc2)sc1C(=O)NCc1ncccn1.
What is the InChIKey of 4-methyl-2-pyrimidin-5-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is XGBBABPOXMXSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6OS/c1-9-12(13(21)19-7-11-17-3-2-4-18-11)22-14(20-9)10-5-15-8-16-6-10/h2-6,8H,7H2,1H3,(H,19,21).
What are the key properties of 4-methyl-2-pyrimidin-5-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
4-methyl-2-pyrimidin-5-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 312.36 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyrimidin-5-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58236173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).