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

C12H21N5O2S — CID 116672594

IUPAC4-amino-N-[2-(diethylamino)-2-oxoethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
SMILESCCN(CC)C(=O)CNC(=O)c1sc(N(C)C)nc1N
InChIInChI=1S/C12H21N5O2S/c1-5-17(6-2)8(18)7-14-11(19)9-10(13)15-12(20-9)16(3)4/h5-7,13H2,1-4H3,(H,14,19)
InChIKeyNVHBPFQXKHNJGU-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.39
Rot. Bonds6

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

4-amino-N-[2-(diethylamino)-2-oxoethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116672594) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-amino-N-[2-(diethylamino)-2-oxoethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(diethylamino)-2-oxoethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
PubChem CID116672594
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Name4-amino-N-[2-(diethylamino)-2-oxoethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
SMILESCCN(CC)C(=O)CNC(=O)c1sc(N(C)C)nc1N
InChIInChI=1S/C12H21N5O2S/c1-5-17(6-2)8(18)7-14-11(19)9-10(13)15-12(20-9)16(3)4/h5-7,13H2,1-4H3,(H,14,19)
InChIKeyNVHBPFQXKHNJGU-UHFFFAOYSA-N
XLogP0.39
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(diethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116669748
4-amino-2-(dimethylamino)-N-(2-ethoxyethyl)-1,3-thiazole-5-carboxamide
CID 116670447
4-amino-2-(dimethylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1,3-thiazole-5-carboxamide
CID 116663507
4-amino-N-[2-(carbamoylamino)ethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116672314
4-amino-2-(dimethylamino)-N-(2-methylsulfanylethyl)-1,3-thiazole-5-carboxamide
CID 116666526
4-amino-2-(dimethylamino)-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116669635
4-amino-2-(dimethylamino)-N-[3-oxo-3-(propylamino)propyl]-1,3-thiazole-5-carboxamide
CID 116664873
2-[[4-amino-2-(dimethylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
CID 116672210
4-amino-2-(dimethylamino)-N-(6-hydroxyhexyl)-1,3-thiazole-5-carboxamide
CID 107855741
4-amino-2-[ethyl(methyl)amino]-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 116670265
4-amino-N-(2-chloroprop-2-enyl)-2-(diethylamino)-1,3-thiazole-5-carboxamide
CID 116672638
4-amino-N-(2-cyclopropylethyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116667320

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(diethylamino)-2-oxoethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-(diethylamino)-2-oxoethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide (CID 116672594) is 4-amino-N-[2-(diethylamino)-2-oxoethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(diethylamino)-2-oxoethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-(diethylamino)-2-oxoethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide is CCN(CC)C(=O)CNC(=O)c1sc(N(C)C)nc1N.
What is the InChIKey of 4-amino-N-[2-(diethylamino)-2-oxoethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is NVHBPFQXKHNJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-5-17(6-2)8(18)7-14-11(19)9-10(13)15-12(20-9)16(3)4/h5-7,13H2,1-4H3,(H,14,19).
What are the key properties of 4-amino-N-[2-(diethylamino)-2-oxoethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[2-(diethylamino)-2-oxoethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(diethylamino)-2-oxoethyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116672594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).