4-amino-2-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1,3-thiazole-5-carboxamide

C12H21N5O2S — CID 116663507

IUPAC4-amino-2-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC(=O)N(C)C)C(=O)c1sc(N(C)C)nc1N
InChIInChI=1S/C12H21N5O2S/c1-6-17(7-8(18)15(2)3)11(19)9-10(13)14-12(20-9)16(4)5/h6-7,13H2,1-5H3
InChIKeyVZHSDLISMOUKTP-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.34
Rot. Bonds5

About 4-amino-2-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1,3-thiazole-5-carboxamide

4-amino-2-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 116663507) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-amino-2-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1,3-thiazole-5-carboxamide
PubChem CID116663507
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Name4-amino-2-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1,3-thiazole-5-carboxamide
SMILESCCN(CC(=O)N(C)C)C(=O)c1sc(N(C)C)nc1N
InChIInChI=1S/C12H21N5O2S/c1-6-17(7-8(18)15(2)3)11(19)9-10(13)14-12(20-9)16(4)5/h6-7,13H2,1-5H3
InChIKeyVZHSDLISMOUKTP-UHFFFAOYSA-N
XLogP0.34
TPSA82.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(dimethylamino)-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116669635
4-amino-N-[2-(diethylamino)-2-oxoethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116672594
4-amino-2-(dimethylamino)-N,N-bis(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
CID 116670876
4-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-[ethyl(methyl)amino]-1,3-thiazole-5-carboxamide
CID 116664168
4-amino-N,N-bis(cyclopropylmethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116666777
4-amino-2-(dimethylamino)-N-methyl-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
CID 116669684
4-amino-N-(cyclopropylmethyl)-2-(dimethylamino)-N-propyl-1,3-thiazole-5-carboxamide
CID 116663408
4-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-[methyl(propyl)amino]-1,3-thiazole-5-carboxamide
CID 116663495
4-amino-2-(dimethylamino)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666508
4-amino-N-[2-(dimethylamino)ethyl]-2-[ethyl(methyl)amino]-N-propyl-1,3-thiazole-5-carboxamide
CID 116665037
4-amino-2-(dimethylamino)-N-methyl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
CID 116671884
4-amino-2-(dimethylamino)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1,3-thiazole-5-carboxamide
CID 116664214

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1,3-thiazole-5-carboxamide (CID 116663507) is 4-amino-2-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1,3-thiazole-5-carboxamide is CCN(CC(=O)N(C)C)C(=O)c1sc(N(C)C)nc1N.
What is the InChIKey of 4-amino-2-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1,3-thiazole-5-carboxamide?
The InChIKey is VZHSDLISMOUKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-6-17(7-8(18)15(2)3)11(19)9-10(13)14-12(20-9)16(4)5/h6-7,13H2,1-5H3.
What are the key properties of 4-amino-2-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1,3-thiazole-5-carboxamide?
4-amino-2-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 0.34, 5 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-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).