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

C14H18N4OS — CID 116670796

IUPAC4-amino-N-ethyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCCN(C(=O)c1sc(NC)nc1N)c1cccc(C)c1
InChIInChI=1S/C14H18N4OS/c1-4-18(10-7-5-6-9(2)8-10)13(19)11-12(15)17-14(16-3)20-11/h5-8H,4,15H2,1-3H3,(H,16,17)
InChIKeyCLDCLCSDPSRHOF-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.74
Rot. Bonds4

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

4-amino-N-ethyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 116670796) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-amino-N-ethyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID116670796
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name4-amino-N-ethyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCCN(C(=O)c1sc(NC)nc1N)c1cccc(C)c1
InChIInChI=1S/C14H18N4OS/c1-4-18(10-7-5-6-9(2)8-10)13(19)11-12(15)17-14(16-3)20-11/h5-8H,4,15H2,1-3H3,(H,16,17)
InChIKeyCLDCLCSDPSRHOF-UHFFFAOYSA-N
XLogP2.74
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-ethyl-2-(ethylamino)-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116665070
6-amino-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 62239482
6-amino-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 55041795
N-ethyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-2-carboxamide
CID 110696261
2-amino-N-ethyl-N-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 107734903
4,5-dibromo-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide
CID 113221701
4-amino-N-benzyl-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668268
N-ethyl-6-methyl-4-(methylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 81237902
2-amino-N-ethyl-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55115865
N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide
CID 107023760
1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109048470
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-ethyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide (CID 116670796) is 4-amino-N-ethyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide is CCN(C(=O)c1sc(NC)nc1N)c1cccc(C)c1.
What is the InChIKey of 4-amino-N-ethyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CLDCLCSDPSRHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-4-18(10-7-5-6-9(2)8-10)13(19)11-12(15)17-14(16-3)20-11/h5-8H,4,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-N-ethyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide?
4-amino-N-ethyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116670796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).