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

C12H20N4O2S — CID 116670500

IUPAC4-amino-2-(dimethylamino)-N-methyl-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)N(C)C2CCOCC2)s1
InChIInChI=1S/C12H20N4O2S/c1-15(2)12-14-10(13)9(19-12)11(17)16(3)8-4-6-18-7-5-8/h8H,4-7,13H2,1-3H3
InChIKeyZLYAQQUBSJUNQI-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.04
Rot. Bonds3

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

4-amino-2-(dimethylamino)-N-methyl-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 116670500) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-N-methyl-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-N-methyl-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID116670500
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name4-amino-2-(dimethylamino)-N-methyl-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)N(C)C2CCOCC2)s1
InChIInChI=1S/C12H20N4O2S/c1-15(2)12-14-10(13)9(19-12)11(17)16(3)8-4-6-18-7-5-8/h8H,4-7,13H2,1-3H3
InChIKeyZLYAQQUBSJUNQI-UHFFFAOYSA-N
XLogP1.04
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-cyclohexyl-2-(diethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116668367
4-amino-N,N-bis(cyclopropylmethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116666777
4-amino-N-cyclohexyl-2-(dimethylamino)-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
CID 116664324
4-amino-N-methyl-N-(oxolan-3-yl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 116671944
4-amino-2-(dimethylamino)-N,N-bis(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
CID 116670876
4-amino-N-cyclopropyl-2-(dimethylamino)-N-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116663483
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-(3-methylmorpholin-4-yl)methanone
CID 116670087
4-amino-N-(2-cyclopropylethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116667320
4-amino-2-(dimethylamino)-N-methyl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
CID 116671884
4-amino-N-(cyclopropylmethyl)-2-(dimethylamino)-N-propyl-1,3-thiazole-5-carboxamide
CID 116663408
4-amino-N,5-dimethyl-N-(oxan-4-yl)thiophene-2-carboxamide
CID 61103273
6-amino-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 62156515

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-N-methyl-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(dimethylamino)-N-methyl-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide (CID 116670500) is 4-amino-2-(dimethylamino)-N-methyl-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(dimethylamino)-N-methyl-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(dimethylamino)-N-methyl-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide is CN(C)c1nc(N)c(C(=O)N(C)C2CCOCC2)s1.
What is the InChIKey of 4-amino-2-(dimethylamino)-N-methyl-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is ZLYAQQUBSJUNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-15(2)12-14-10(13)9(19-12)11(17)16(3)8-4-6-18-7-5-8/h8H,4-7,13H2,1-3H3.
What are the key properties of 4-amino-2-(dimethylamino)-N-methyl-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide?
4-amino-2-(dimethylamino)-N-methyl-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(dimethylamino)-N-methyl-N-(oxan-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116670500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).