N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide

C15H13N5OS — CID 46209426

IUPACN-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1csc(Nc2ccncn2)n1
InChIInChI=1S/C15H13N5OS/c21-14(17-8-11-4-2-1-3-5-11)12-9-22-15(19-12)20-13-6-7-16-10-18-13/h1-7,9-10H,8H2,(H,17,21)(H,16,18,19,20)
InChIKeyDOBKQCZBPPCLEG-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.61
Rot. Bonds5

About N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide

N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide (PubChem CID 46209426) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide
PubChem CID46209426
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC NameN-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1csc(Nc2ccncn2)n1
InChIInChI=1S/C15H13N5OS/c21-14(17-8-11-4-2-1-3-5-11)12-9-22-15(19-12)20-13-6-7-16-10-18-13/h1-7,9-10H,8H2,(H,17,21)(H,16,18,19,20)
InChIKeyDOBKQCZBPPCLEG-UHFFFAOYSA-N
XLogP2.61
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide (CID 46209426) is N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide is O=C(NCc1ccccc1)c1csc(Nc2ccncn2)n1.
What is the InChIKey of N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is DOBKQCZBPPCLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c21-14(17-8-11-4-2-1-3-5-11)12-9-22-15(19-12)20-13-6-7-16-10-18-13/h1-7,9-10H,8H2,(H,17,21)(H,16,18,19,20).
What are the key properties of N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide?
N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 311.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46209426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).