2-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carboxamide

C10H17N3O2S — CID 75435847

IUPAC2-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)NOC(C)(C)C)s1
InChIInChI=1S/C10H17N3O2S/c1-5-11-9-12-6-7(16-9)8(14)13-15-10(2,3)4/h6H,5H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyXJAPKVXZYCBSHQ-UHFFFAOYSA-N
MW243.33 g/mol
LogP2.03
Rot. Bonds4

About 2-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carboxamide

2-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carboxamide (PubChem CID 75435847) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carboxamide
PubChem CID75435847
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carboxamide
SMILESCCNc1ncc(C(=O)NOC(C)(C)C)s1
InChIInChI=1S/C10H17N3O2S/c1-5-11-9-12-6-7(16-9)8(14)13-15-10(2,3)4/h6H,5H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyXJAPKVXZYCBSHQ-UHFFFAOYSA-N
XLogP2.03
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carboxamide (CID 75435847) is 2-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carboxamide is CCNc1ncc(C(=O)NOC(C)(C)C)s1.
What is the InChIKey of 2-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carboxamide?
The InChIKey is XJAPKVXZYCBSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-5-11-9-12-6-7(16-9)8(14)13-15-10(2,3)4/h6H,5H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 2-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carboxamide?
2-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75435847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).