2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide

C14H19N5OS — CID 47886341

IUPAC2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCCNc2ncccn2)s1
InChIInChI=1S/C14H19N5OS/c1-14(2,3)12-19-9-10(21-12)11(20)15-7-8-18-13-16-5-4-6-17-13/h4-6,9H,7-8H2,1-3H3,(H,15,20)(H,16,17,18)
InChIKeyZFLYNYVYGPUZFE-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.07
Rot. Bonds5

About 2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 47886341) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID47886341
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCCNc2ncccn2)s1
InChIInChI=1S/C14H19N5OS/c1-14(2,3)12-19-9-10(21-12)11(20)15-7-8-18-13-16-5-4-6-17-13/h4-6,9H,7-8H2,1-3H3,(H,15,20)(H,16,17,18)
InChIKeyZFLYNYVYGPUZFE-UHFFFAOYSA-N
XLogP2.07
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (CID 47886341) is 2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is CC(C)(C)c1ncc(C(=O)NCCNc2ncccn2)s1.
What is the InChIKey of 2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZFLYNYVYGPUZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-14(2,3)12-19-9-10(21-12)11(20)15-7-8-18-13-16-5-4-6-17-13/h4-6,9H,7-8H2,1-3H3,(H,15,20)(H,16,17,18).
What are the key properties of 2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 305.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47886341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).