4-amino-2-(diethylamino)-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide

C13H22N4O2S — CID 116670476

IUPAC4-amino-2-(diethylamino)-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC)c1nc(N)c(C(=O)NC2CCOCC2)s1
InChIInChI=1S/C13H22N4O2S/c1-3-17(4-2)13-16-11(14)10(20-13)12(18)15-9-5-7-19-8-6-9/h9H,3-8,14H2,1-2H3,(H,15,18)
InChIKeyJMYFGMSQINCEAS-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.48
Rot. Bonds5

About 4-amino-2-(diethylamino)-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide

4-amino-2-(diethylamino)-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116670476) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-amino-2-(diethylamino)-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(diethylamino)-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID116670476
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name4-amino-2-(diethylamino)-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide
SMILESCCN(CC)c1nc(N)c(C(=O)NC2CCOCC2)s1
InChIInChI=1S/C13H22N4O2S/c1-3-17(4-2)13-16-11(14)10(20-13)12(18)15-9-5-7-19-8-6-9/h9H,3-8,14H2,1-2H3,(H,15,18)
InChIKeyJMYFGMSQINCEAS-UHFFFAOYSA-N
XLogP1.48
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(diethylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 116669839
4-amino-2-(diethylamino)-N-(1-methylcyclopentyl)-1,3-thiazole-5-carboxamide
CID 116670891
4-amino-2-(diethylamino)-N-(1-methylcyclobutyl)-1,3-thiazole-5-carboxamide
CID 116672673
4-amino-N-(1-cyclopropylpropan-2-yl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
CID 116666579
4-amino-2-(diethylamino)-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116672887
4-amino-N-cyclopent-3-en-1-yl-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116673262
4-amino-2-[methyl(propyl)amino]-N-(oxan-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116666332
4-amino-2-(diethylamino)-N-(thiolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116671370
4-amino-2-(dimethylamino)-N-(1-oxothian-4-yl)-1,3-thiazole-5-carboxamide
CID 116672909
4-amino-2-(diethylamino)-N-(2-ethylbutyl)-1,3-thiazole-5-carboxamide
CID 116673517
4-amino-2-(diethylamino)-N-methyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116666701
4-amino-2-(diethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116669748

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(diethylamino)-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(diethylamino)-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide (CID 116670476) is 4-amino-2-(diethylamino)-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(diethylamino)-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(diethylamino)-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide is CCN(CC)c1nc(N)c(C(=O)NC2CCOCC2)s1.
What is the InChIKey of 4-amino-2-(diethylamino)-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is JMYFGMSQINCEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-3-17(4-2)13-16-11(14)10(20-13)12(18)15-9-5-7-19-8-6-9/h9H,3-8,14H2,1-2H3,(H,15,18).
What are the key properties of 4-amino-2-(diethylamino)-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(diethylamino)-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(diethylamino)-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116670476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).