4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

C12H20N4O2S — CID 116667638

IUPAC4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCCC(C)NC(=O)c1sc(N2CCOCC2)nc1N
InChIInChI=1S/C12H20N4O2S/c1-3-8(2)14-11(17)9-10(13)15-12(19-9)16-4-6-18-7-5-16/h8H,3-7,13H2,1-2H3,(H,14,17)
InChIKeyZHVBAGHDLOBCMU-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.09
Rot. Bonds4

About 4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 116667638) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID116667638
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCCC(C)NC(=O)c1sc(N2CCOCC2)nc1N
InChIInChI=1S/C12H20N4O2S/c1-3-8(2)14-11(17)9-10(13)15-12(19-9)16-4-6-18-7-5-16/h8H,3-7,13H2,1-2H3,(H,14,17)
InChIKeyZHVBAGHDLOBCMU-UHFFFAOYSA-N
XLogP1.09
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(4-hydroxypentan-2-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116672605
4-amino-N-pentan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116668009
4-amino-N-(1-methylcyclopropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116672709
4-amino-N-(2,2-dimethylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116670811
4-amino-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
CID 116667349
4-amino-N-(1-ethoxypropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116664707
4-amino-N-[(2-methylcyclopropyl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116673035
4-amino-N-(2-amino-2-oxoethyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116667829
4-amino-N-(1-methylcyclopentyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116670895
4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
CID 154487330
4-amino-N-(1-methoxypropan-2-yl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 116668074
4-amino-N-(1-cyclopropylpropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116666580

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (CID 116667638) is 4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is CCC(C)NC(=O)c1sc(N2CCOCC2)nc1N.
What is the InChIKey of 4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is ZHVBAGHDLOBCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-3-8(2)14-11(17)9-10(13)15-12(19-9)16-4-6-18-7-5-16/h8H,3-7,13H2,1-2H3,(H,14,17).
What are the key properties of 4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116667638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).