2-(aminomethyl)-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide

C16H20N4O3S — CID 119712259

IUPAC2-(aminomethyl)-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)COc1cccc(CNC(=O)c2csc(CN)n2)c1
InChIInChI=1S/C16H20N4O3S/c1-20(2)15(21)9-23-12-5-3-4-11(6-12)8-18-16(22)13-10-24-14(7-17)19-13/h3-6,10H,7-9,17H2,1-2H3,(H,18,22)
InChIKeyIQUAZTYPLHSZSY-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.00
Rot. Bonds7

About 2-(aminomethyl)-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 119712259) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID119712259
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name2-(aminomethyl)-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)COc1cccc(CNC(=O)c2csc(CN)n2)c1
InChIInChI=1S/C16H20N4O3S/c1-20(2)15(21)9-23-12-5-3-4-11(6-12)8-18-16(22)13-10-24-14(7-17)19-13/h3-6,10H,7-9,17H2,1-2H3,(H,18,22)
InChIKeyIQUAZTYPLHSZSY-UHFFFAOYSA-N
XLogP1.00
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66377643
2-(aminomethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119712592
2-(aminomethyl)-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66378027
2-(aminomethyl)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 119713421
2-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119718237
2-(aminomethyl)-N-[[3-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 119847461
2-(2-aminoethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120620969
3-amino-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]propanamide;hydrochloride
CID 119283198
2-(aminomethyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119734832
2-(aminomethyl)-N-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66378221
2-(aminomethyl)-N-[3-[3-(dimethylamino)propoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 119885857
2-(aminomethyl)-N-[[3-(3-methylbutanoylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 119745463

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 119712259) is 2-(aminomethyl)-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide is CN(C)C(=O)COc1cccc(CNC(=O)c2csc(CN)n2)c1.
What is the InChIKey of 2-(aminomethyl)-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IQUAZTYPLHSZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-20(2)15(21)9-23-12-5-3-4-11(6-12)8-18-16(22)13-10-24-14(7-17)19-13/h3-6,10H,7-9,17H2,1-2H3,(H,18,22).
What are the key properties of 2-(aminomethyl)-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119712259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).