4-amino-N-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide

C14H18N4OS — CID 63360977

IUPAC4-amino-N-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
SMILESCCNC(=O)c1ccc(N)c(NCc2nc(C)cs2)c1
InChIInChI=1S/C14H18N4OS/c1-3-16-14(19)10-4-5-11(15)12(6-10)17-7-13-18-9(2)8-20-13/h4-6,8,17H,3,7,15H2,1-2H3,(H,16,19)
InChIKeyQFTNKNOWGDPCEW-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.40
Rot. Bonds5

About 4-amino-N-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide

4-amino-N-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide (PubChem CID 63360977) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
PubChem CID63360977
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name4-amino-N-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
SMILESCCNC(=O)c1ccc(N)c(NCc2nc(C)cs2)c1
InChIInChI=1S/C14H18N4OS/c1-3-16-14(19)10-4-5-11(15)12(6-10)17-7-13-18-9(2)8-20-13/h4-6,8,17H,3,7,15H2,1-2H3,(H,16,19)
InChIKeyQFTNKNOWGDPCEW-UHFFFAOYSA-N
XLogP2.40
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-ethyl-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 63360539
3-hydroxy-4-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709417
4-hydroxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 60709490
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 51291464
4-amino-N-ethyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]benzamide
CID 106369443
4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide
CID 83116178
4-amino-N-ethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63820564
4-[(3-aminothiophen-2-yl)methylamino]-N-ethyl-3-methylbenzamide
CID 66385780
4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide
CID 63361145
4-amino-N-ethyl-3-(2-thiophen-2-ylethylamino)benzamide
CID 63360728
4-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(trifluoromethyl)benzamide
CID 81448940
N-methyl-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 104769743

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide?
The IUPAC name of 4-amino-N-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide (CID 63360977) is 4-amino-N-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide is CCNC(=O)c1ccc(N)c(NCc2nc(C)cs2)c1.
What is the InChIKey of 4-amino-N-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide?
The InChIKey is QFTNKNOWGDPCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-16-14(19)10-4-5-11(15)12(6-10)17-7-13-18-9(2)8-20-13/h4-6,8,17H,3,7,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-N-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide?
4-amino-N-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide has a molecular weight of 290.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide is sourced from PubChem (CID 63360977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).