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

C13H22N4O3S — CID 116672605

IUPAC4-amino-N-(4-hydroxypentan-2-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCC(O)CC(C)NC(=O)c1sc(N2CCOCC2)nc1N
InChIInChI=1S/C13H22N4O3S/c1-8(7-9(2)18)15-12(19)10-11(14)16-13(21-10)17-3-5-20-6-4-17/h8-9,18H,3-7,14H2,1-2H3,(H,15,19)
InChIKeyVZCSNGXRXDWUCF-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.45
Rot. Bonds5

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

4-amino-N-(4-hydroxypentan-2-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 116672605) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-amino-N-(4-hydroxypentan-2-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-hydroxypentan-2-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID116672605
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name4-amino-N-(4-hydroxypentan-2-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCC(O)CC(C)NC(=O)c1sc(N2CCOCC2)nc1N
InChIInChI=1S/C13H22N4O3S/c1-8(7-9(2)18)15-12(19)10-11(14)16-13(21-10)17-3-5-20-6-4-17/h8-9,18H,3-7,14H2,1-2H3,(H,15,19)
InChIKeyVZCSNGXRXDWUCF-UHFFFAOYSA-N
XLogP0.45
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116667638
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-(1-cyclopropylpropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116666580
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-(3-hydroxybutyl)-N-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116673878

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-hydroxypentan-2-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-hydroxypentan-2-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (CID 116672605) is 4-amino-N-(4-hydroxypentan-2-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-hydroxypentan-2-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-hydroxypentan-2-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is CC(O)CC(C)NC(=O)c1sc(N2CCOCC2)nc1N.
What is the InChIKey of 4-amino-N-(4-hydroxypentan-2-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is VZCSNGXRXDWUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-8(7-9(2)18)15-12(19)10-11(14)16-13(21-10)17-3-5-20-6-4-17/h8-9,18H,3-7,14H2,1-2H3,(H,15,19).
What are the key properties of 4-amino-N-(4-hydroxypentan-2-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
4-amino-N-(4-hydroxypentan-2-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-hydroxypentan-2-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).