4-amino-N-(2,2-dimethylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

C13H22N4O2S — CID 116670811

IUPAC4-amino-N-(2,2-dimethylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)CNC(=O)c1sc(N2CCOCC2)nc1N
InChIInChI=1S/C13H22N4O2S/c1-13(2,3)8-15-11(18)9-10(14)16-12(20-9)17-4-6-19-7-5-17/h4-8,14H2,1-3H3,(H,15,18)
InChIKeyKXENWIKFJCAPPT-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.34
Rot. Bonds3

About 4-amino-N-(2,2-dimethylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide

4-amino-N-(2,2-dimethylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 116670811) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID116670811
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name4-amino-N-(2,2-dimethylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)CNC(=O)c1sc(N2CCOCC2)nc1N
InChIInChI=1S/C13H22N4O2S/c1-13(2,3)8-15-11(18)9-10(14)16-12(20-9)17-4-6-19-7-5-17/h4-8,14H2,1-3H3,(H,15,18)
InChIKeyKXENWIKFJCAPPT-UHFFFAOYSA-N
XLogP1.34
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
CID 116667349
4-amino-N-(2-amino-2-oxoethyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116667829
4-amino-N-[(2-methylcyclopropyl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116673035
4-amino-N-(1-methylcyclopropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116672709
4-amino-N-(4-methylsulfanylbutyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116672727
4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116667638
4-amino-N-(3-ethoxypropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116668840
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-(2-ethoxy-2-methylpropyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 114944967
4-amino-2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116669024
4-amino-N-(4-hydroxypentan-2-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116672605

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-dimethylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,2-dimethylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (CID 116670811) is 4-amino-N-(2,2-dimethylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-dimethylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-dimethylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is CC(C)(C)CNC(=O)c1sc(N2CCOCC2)nc1N.
What is the InChIKey of 4-amino-N-(2,2-dimethylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is KXENWIKFJCAPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-13(2,3)8-15-11(18)9-10(14)16-12(20-9)17-4-6-19-7-5-17/h4-8,14H2,1-3H3,(H,15,18).
What are the key properties of 4-amino-N-(2,2-dimethylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
4-amino-N-(2,2-dimethylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-dimethylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116670811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).