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

C12H18N4O2S — CID 116672709

IUPAC4-amino-N-(1-methylcyclopropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCC1(NC(=O)c2sc(N3CCOCC3)nc2N)CC1
InChIInChI=1S/C12H18N4O2S/c1-12(2-3-12)15-10(17)8-9(13)14-11(19-8)16-4-6-18-7-5-16/h2-7,13H2,1H3,(H,15,17)
InChIKeyWJQSEZAJCYDVNA-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.84
Rot. Bonds3

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

4-amino-N-(1-methylcyclopropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 116672709) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-amino-N-(1-methylcyclopropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-methylcyclopropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID116672709
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name4-amino-N-(1-methylcyclopropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
SMILESCC1(NC(=O)c2sc(N3CCOCC3)nc2N)CC1
InChIInChI=1S/C12H18N4O2S/c1-12(2-3-12)15-10(17)8-9(13)14-11(19-8)16-4-6-18-7-5-16/h2-7,13H2,1H3,(H,15,17)
InChIKeyWJQSEZAJCYDVNA-UHFFFAOYSA-N
XLogP0.84
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(1-methylcyclopentyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116670895
4-amino-N-(1-methylcyclohexyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116664825
4-amino-N-(2,2-dimethylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116670811
4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116667638
4-amino-N-(4-hydroxypentan-2-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116672605
4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
CID 154487330
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-2-(3-aminopyrrolidin-1-yl)-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide
CID 116670886
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-(3-ethoxypropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116668840

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-methylcyclopropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-methylcyclopropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide (CID 116672709) is 4-amino-N-(1-methylcyclopropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-methylcyclopropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-methylcyclopropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is CC1(NC(=O)c2sc(N3CCOCC3)nc2N)CC1.
What is the InChIKey of 4-amino-N-(1-methylcyclopropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is WJQSEZAJCYDVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-12(2-3-12)15-10(17)8-9(13)14-11(19-8)16-4-6-18-7-5-16/h2-7,13H2,1H3,(H,15,17).
What are the key properties of 4-amino-N-(1-methylcyclopropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide?
4-amino-N-(1-methylcyclopropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methylcyclopropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).