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

C12H15N5OS — CID 47427175

IUPAC2-ethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCCNc2ncccn2)s1
InChIInChI=1S/C12H15N5OS/c1-2-10-17-8-9(19-10)11(18)13-6-7-16-12-14-4-3-5-15-12/h3-5,8H,2,6-7H2,1H3,(H,13,18)(H,14,15,16)
InChIKeyBEYDLKWELLZFBN-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.34
Rot. Bonds6

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

2-ethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 47427175) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-ethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID47427175
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name2-ethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCCNc2ncccn2)s1
InChIInChI=1S/C12H15N5OS/c1-2-10-17-8-9(19-10)11(18)13-6-7-16-12-14-4-3-5-15-12/h3-5,8H,2,6-7H2,1H3,(H,13,18)(H,14,15,16)
InChIKeyBEYDLKWELLZFBN-UHFFFAOYSA-N
XLogP1.34
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.34
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-ethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (CID 47427175) is 2-ethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NCCNc2ncccn2)s1.
What is the InChIKey of 2-ethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is BEYDLKWELLZFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-2-10-17-8-9(19-10)11(18)13-6-7-16-12-14-4-3-5-15-12/h3-5,8H,2,6-7H2,1H3,(H,13,18)(H,14,15,16).
What are the key properties of 2-ethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
2-ethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47427175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).