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

C15H21N5OS — CID 47925897

IUPAC2-tert-butyl-N-[3-(pyrimidin-2-ylamino)propyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCCCNc2ncccn2)s1
InChIInChI=1S/C15H21N5OS/c1-15(2,3)13-20-10-11(22-13)12(21)16-6-4-7-17-14-18-8-5-9-19-14/h5,8-10H,4,6-7H2,1-3H3,(H,16,21)(H,17,18,19)
InChIKeyZBAJMFQISAWVPN-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.46
Rot. Bonds6

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

2-tert-butyl-N-[3-(pyrimidin-2-ylamino)propyl]-1,3-thiazole-5-carboxamide (PubChem CID 47925897) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-tert-butyl-N-[3-(pyrimidin-2-ylamino)propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[3-(pyrimidin-2-ylamino)propyl]-1,3-thiazole-5-carboxamide
PubChem CID47925897
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name2-tert-butyl-N-[3-(pyrimidin-2-ylamino)propyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCCCNc2ncccn2)s1
InChIInChI=1S/C15H21N5OS/c1-15(2,3)13-20-10-11(22-13)12(21)16-6-4-7-17-14-18-8-5-9-19-14/h5,8-10H,4,6-7H2,1-3H3,(H,16,21)(H,17,18,19)
InChIKeyZBAJMFQISAWVPN-UHFFFAOYSA-N
XLogP2.46
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.46
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-[3-(pyrimidin-2-ylamino)propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[3-(pyrimidin-2-ylamino)propyl]-1,3-thiazole-5-carboxamide (CID 47925897) is 2-tert-butyl-N-[3-(pyrimidin-2-ylamino)propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[3-(pyrimidin-2-ylamino)propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[3-(pyrimidin-2-ylamino)propyl]-1,3-thiazole-5-carboxamide is CC(C)(C)c1ncc(C(=O)NCCCNc2ncccn2)s1.
What is the InChIKey of 2-tert-butyl-N-[3-(pyrimidin-2-ylamino)propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ZBAJMFQISAWVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-15(2,3)13-20-10-11(22-13)12(21)16-6-4-7-17-14-18-8-5-9-19-14/h5,8-10H,4,6-7H2,1-3H3,(H,16,21)(H,17,18,19).
What are the key properties of 2-tert-butyl-N-[3-(pyrimidin-2-ylamino)propyl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[3-(pyrimidin-2-ylamino)propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[3-(pyrimidin-2-ylamino)propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47925897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).