2-(ethylamino)-N-(1-methoxy-4-methylpentan-3-yl)-1,3-thiazole-5-carboxamide

C13H23N3O2S — CID 75430485

IUPAC2-(ethylamino)-N-(1-methoxy-4-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)NC(CCOC)C(C)C)s1
InChIInChI=1S/C13H23N3O2S/c1-5-14-13-15-8-11(19-13)12(17)16-10(9(2)3)6-7-18-4/h8-10H,5-7H2,1-4H3,(H,14,15)(H,16,17)
InChIKeySCFNCWGJJPRNRK-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.37
Rot. Bonds8

About 2-(ethylamino)-N-(1-methoxy-4-methylpentan-3-yl)-1,3-thiazole-5-carboxamide

2-(ethylamino)-N-(1-methoxy-4-methylpentan-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 75430485) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-(ethylamino)-N-(1-methoxy-4-methylpentan-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(1-methoxy-4-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID75430485
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name2-(ethylamino)-N-(1-methoxy-4-methylpentan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)NC(CCOC)C(C)C)s1
InChIInChI=1S/C13H23N3O2S/c1-5-14-13-15-8-11(19-13)12(17)16-10(9(2)3)6-7-18-4/h8-10H,5-7H2,1-4H3,(H,14,15)(H,16,17)
InChIKeySCFNCWGJJPRNRK-UHFFFAOYSA-N
XLogP2.37
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(1-methoxy-4-methylpentan-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-(1-methoxy-4-methylpentan-3-yl)-1,3-thiazole-5-carboxamide (CID 75430485) is 2-(ethylamino)-N-(1-methoxy-4-methylpentan-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-(1-methoxy-4-methylpentan-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-(1-methoxy-4-methylpentan-3-yl)-1,3-thiazole-5-carboxamide is CCNc1ncc(C(=O)NC(CCOC)C(C)C)s1.
What is the InChIKey of 2-(ethylamino)-N-(1-methoxy-4-methylpentan-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is SCFNCWGJJPRNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-5-14-13-15-8-11(19-13)12(17)16-10(9(2)3)6-7-18-4/h8-10H,5-7H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 2-(ethylamino)-N-(1-methoxy-4-methylpentan-3-yl)-1,3-thiazole-5-carboxamide?
2-(ethylamino)-N-(1-methoxy-4-methylpentan-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 285.41 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(1-methoxy-4-methylpentan-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75430485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).