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

C11H14N4O2S — CID 116667349

IUPAC4-amino-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
SMILESC#CCNC(=O)c1sc(N2CCOCC2)nc1N
InChIInChI=1S/C11H14N4O2S/c1-2-3-13-10(16)8-9(12)14-11(18-8)15-4-6-17-7-5-15/h1H,3-7,12H2,(H,13,16)
InChIKeyTYQWYCADYMTJRH-UHFFFAOYSA-N
MW266.33 g/mol
LogP-0.08
Rot. Bonds3

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

4-amino-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide (PubChem CID 116667349) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-amino-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
PubChem CID116667349
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name4-amino-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
SMILESC#CCNC(=O)c1sc(N2CCOCC2)nc1N
InChIInChI=1S/C11H14N4O2S/c1-2-3-13-10(16)8-9(12)14-11(18-8)15-4-6-17-7-5-15/h1H,3-7,12H2,(H,13,16)
InChIKeyTYQWYCADYMTJRH-UHFFFAOYSA-N
XLogP-0.08
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(2,2-dimethylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116670811
4-amino-N-(2-amino-2-oxoethyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116667829
4-amino-N-methyl-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
CID 116671879
4-amino-N-[(2-methylcyclopropyl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116673035
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-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
CID 154487330
4-amino-N-(1-methylcyclopropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116672709
4-amino-N-(4-hydroxypentan-2-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116672605
4-amino-N-(1-methylcyclopentyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116670895
4-amino-N-(2-methoxyethyl)-N-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116663282

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide (CID 116667349) is 4-amino-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide is C#CCNC(=O)c1sc(N2CCOCC2)nc1N.
What is the InChIKey of 4-amino-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide?
The InChIKey is TYQWYCADYMTJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-2-3-13-10(16)8-9(12)14-11(18-8)15-4-6-17-7-5-15/h1H,3-7,12H2,(H,13,16).
What are the key properties of 4-amino-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide?
4-amino-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide has a molecular weight of 266.33 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116667349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).