3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide

C12H22N4O2S — CID 103380561

IUPAC3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCCC(C)N(CCOC)c1snc(N)c1C(=O)NC
InChIInChI=1S/C12H22N4O2S/c1-5-8(2)16(6-7-18-4)12-9(11(17)14-3)10(13)15-19-12/h8H,5-7H2,1-4H3,(H2,13,15)(H,14,17)
InChIKeyCTJZSIJRWSFIMA-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.34
Rot. Bonds7

About 3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide

3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide (PubChem CID 103380561) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
PubChem CID103380561
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
SMILESCCC(C)N(CCOC)c1snc(N)c1C(=O)NC
InChIInChI=1S/C12H22N4O2S/c1-5-8(2)16(6-7-18-4)12-9(11(17)14-3)10(13)15-19-12/h8H,5-7H2,1-4H3,(H2,13,15)(H,14,17)
InChIKeyCTJZSIJRWSFIMA-UHFFFAOYSA-N
XLogP1.34
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide (CID 103380561) is 3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide is CCC(C)N(CCOC)c1snc(N)c1C(=O)NC.
What is the InChIKey of 3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is CTJZSIJRWSFIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-5-8(2)16(6-7-18-4)12-9(11(17)14-3)10(13)15-19-12/h8H,5-7H2,1-4H3,(H2,13,15)(H,14,17).
What are the key properties of 3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide?
3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[butan-2-yl(2-methoxyethyl)amino]-N-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).