4-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyrimidin-2-ylacetamide;2-pyrimidin-2-ylacetic acid

C30H28N10O3S2 — CID 158465703

About 4-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyrimidin-2-ylacetamide;2-pyrimidin-2-ylacetic acid

4-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyrimidin-2-ylacetamide;2-pyrimidin-2-ylacetic acid (PubChem CID 158465703) has the molecular formula C30H28N10O3S2 and a molecular weight of 640.76 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyrimidin-2-ylacetamide;2-pyrimidin-2-ylacetic acid.

Molecular Properties

• Compound Name: 4-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyrimidin-2-ylacetamide;2-pyrimidin-2-ylacetic acid
• PubChem CID: 158465703
• Molecular Formula: C30H28N10O3S2
• Molecular Weight: 640.76 g/mol
• Exact Mass: 640.18
• IUPAC Name: 4-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyrimidin-2-ylacetamide;2-pyrimidin-2-ylacetic acid
• SMILES: Cc1nc(-c2cccnc2)sc1N.Cc1nc(-c2cccnc2)sc1NC(=O)Cc1ncccn1.O=C(O)Cc1ncccn1
• InChI: InChI=1S/C15H13N5OS.C9H9N3S.C6H6N2O2/c1-10-14(20-13(21)8-12-17-6-3-7-18-12)22-15(19-10)11-4-2-5-16-9-11;1-6-8(10)13-9(12-6)7-3-2-4-11-5-7;9-6(10)4-5-7-2-1-3-8-5/h2-7,9H,8H2,1H3,(H,20,21);2-5H,10H2,1H3;1-3H,4H2,(H,9,10)
• InChIKey: HFSLLYNBTAXMKW-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 195.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.76
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyrimidin-2-ylacetamide;2-pyrimidin-2-ylacetic acid?

The IUPAC name of 4-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyrimidin-2-ylacetamide;2-pyrimidin-2-ylacetic acid (CID 158465703) is 4-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyrimidin-2-ylacetamide;2-pyrimidin-2-ylacetic acid.

What is the SMILES notation for 4-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyrimidin-2-ylacetamide;2-pyrimidin-2-ylacetic acid?

The canonical SMILES for 4-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyrimidin-2-ylacetamide;2-pyrimidin-2-ylacetic acid is Cc1nc(-c2cccnc2)sc1N.Cc1nc(-c2cccnc2)sc1NC(=O)Cc1ncccn1.O=C(O)Cc1ncccn1.

What is the InChIKey of 4-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyrimidin-2-ylacetamide;2-pyrimidin-2-ylacetic acid?

The InChIKey is HFSLLYNBTAXMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS.C9H9N3S.C6H6N2O2/c1-10-14(20-13(21)8-12-17-6-3-7-18-12)22-15(19-10)11-4-2-5-16-9-11;1-6-8(10)13-9(12-6)7-3-2-4-11-5-7;9-6(10)4-5-7-2-1-3-8-5/h2-7,9H,8H2,1H3,(H,20,21);2-5H,10H2,1H3;1-3H,4H2,(H,9,10).

What are the key properties of 4-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyrimidin-2-ylacetamide;2-pyrimidin-2-ylacetic acid?

4-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyrimidin-2-ylacetamide;2-pyrimidin-2-ylacetic acid has a molecular weight of 640.76 g/mol, XLogP of 4.68, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-pyridin-3-yl-1,3-thiazol-5-amine;N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2-pyrimidin-2-ylacetamide;2-pyrimidin-2-ylacetic acid is sourced from PubChem (CID 158465703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).