2-ethyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide

C13H17N5OS — CID 49385475

IUPAC2-ethyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCCNc2ncccn2)s1
InChIInChI=1S/C13H17N5OS/c1-3-10-18-9(2)11(20-10)12(19)14-7-8-17-13-15-5-4-6-16-13/h4-6H,3,7-8H2,1-2H3,(H,14,19)(H,15,16,17)
InChIKeyCOSFYQLPCVYGPN-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.65
Rot. Bonds6

About 2-ethyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide

2-ethyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 49385475) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID49385475
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name2-ethyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCCNc2ncccn2)s1
InChIInChI=1S/C13H17N5OS/c1-3-10-18-9(2)11(20-10)12(19)14-7-8-17-13-15-5-4-6-16-13/h4-6H,3,7-8H2,1-2H3,(H,14,19)(H,15,16,17)
InChIKeyCOSFYQLPCVYGPN-UHFFFAOYSA-N
XLogP1.65
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.65
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-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide (CID 49385475) is 2-ethyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)NCCNc2ncccn2)s1.
What is the InChIKey of 2-ethyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is COSFYQLPCVYGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-3-10-18-9(2)11(20-10)12(19)14-7-8-17-13-15-5-4-6-16-13/h4-6H,3,7-8H2,1-2H3,(H,14,19)(H,15,16,17).
What are the key properties of 2-ethyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide?
2-ethyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49385475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).