2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]-N-tert-butylpropanamide

C12H22N4O2S — CID 103365089

IUPAC2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]-N-tert-butylpropanamide
SMILESCCOc1c(N)nsc1NC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C12H22N4O2S/c1-6-18-8-9(13)16-19-11(8)14-7(2)10(17)15-12(3,4)5/h7,14H,6H2,1-5H3,(H2,13,16)(H,15,17)
InChIKeyMAHAMKSTLCQVBK-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.84
Rot. Bonds5

About 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]-N-tert-butylpropanamide

2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]-N-tert-butylpropanamide (PubChem CID 103365089) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]-N-tert-butylpropanamide
PubChem CID103365089
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]-N-tert-butylpropanamide
SMILESCCOc1c(N)nsc1NC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C12H22N4O2S/c1-6-18-8-9(13)16-19-11(8)14-7(2)10(17)15-12(3,4)5/h7,14H,6H2,1-5H3,(H2,13,16)(H,15,17)
InChIKeyMAHAMKSTLCQVBK-UHFFFAOYSA-N
XLogP1.84
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]-N-tert-butylpropanamide?
The IUPAC name of 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]-N-tert-butylpropanamide (CID 103365089) is 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]-N-tert-butylpropanamide is CCOc1c(N)nsc1NC(C)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]-N-tert-butylpropanamide?
The InChIKey is MAHAMKSTLCQVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-6-18-8-9(13)16-19-11(8)14-7(2)10(17)15-12(3,4)5/h7,14H,6H2,1-5H3,(H2,13,16)(H,15,17).
What are the key properties of 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]-N-tert-butylpropanamide?
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]-N-tert-butylpropanamide has a molecular weight of 286.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]-N-tert-butylpropanamide is sourced from PubChem (CID 103365089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).