4-amino-N-benzyl-N-ethyl-2-(methylamino)-1,3-thiazole-5-carboxamide

C14H18N4OS — CID 116669286

IUPAC4-amino-N-benzyl-N-ethyl-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1sc(NC)nc1N
InChIInChI=1S/C14H18N4OS/c1-3-18(9-10-7-5-4-6-8-10)13(19)11-12(15)17-14(16-2)20-11/h4-8H,3,9,15H2,1-2H3,(H,16,17)
InChIKeyVSCWJTGIYMDICM-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.43
Rot. Bonds5

About 4-amino-N-benzyl-N-ethyl-2-(methylamino)-1,3-thiazole-5-carboxamide

4-amino-N-benzyl-N-ethyl-2-(methylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116669286) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-amino-N-benzyl-N-ethyl-2-(methylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-benzyl-N-ethyl-2-(methylamino)-1,3-thiazole-5-carboxamide
PubChem CID116669286
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name4-amino-N-benzyl-N-ethyl-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1sc(NC)nc1N
InChIInChI=1S/C14H18N4OS/c1-3-18(9-10-7-5-4-6-8-10)13(19)11-12(15)17-14(16-2)20-11/h4-8H,3,9,15H2,1-2H3,(H,16,17)
InChIKeyVSCWJTGIYMDICM-UHFFFAOYSA-N
XLogP2.43
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668268
N-benzyl-N-ethyl-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615363
4-amino-N-[(2-bromophenyl)methyl]-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116663151
4-amino-N-ethyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116670796
4-amino-2-(methylamino)-N-(2-phenylpropyl)-1,3-thiazole-5-carboxamide
CID 116673105
N-benzyl-N-ethyl-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696304
N-benzyl-N-ethyl-4-methylthiadiazole-5-carboxamide
CID 70606713
4-amino-2-(methylamino)-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
CID 116665362
N-benzyl-N-ethyl-6-hydrazinylpyridazine-3-carboxamide
CID 62243834
4-amino-N-ethyl-2-(ethylamino)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
CID 116671241
4-amino-N-ethyl-N-(2-methylpropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116669628
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-N-ethyl-2-(methylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-benzyl-N-ethyl-2-(methylamino)-1,3-thiazole-5-carboxamide (CID 116669286) is 4-amino-N-benzyl-N-ethyl-2-(methylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-benzyl-N-ethyl-2-(methylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-benzyl-N-ethyl-2-(methylamino)-1,3-thiazole-5-carboxamide is CCN(Cc1ccccc1)C(=O)c1sc(NC)nc1N.
What is the InChIKey of 4-amino-N-benzyl-N-ethyl-2-(methylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is VSCWJTGIYMDICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-18(9-10-7-5-4-6-8-10)13(19)11-12(15)17-14(16-2)20-11/h4-8H,3,9,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-benzyl-N-ethyl-2-(methylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-benzyl-N-ethyl-2-(methylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-N-ethyl-2-(methylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116669286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).