N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide

C13H13N3O2S — CID 62045995

IUPACN-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)Cc1ccccc1NC(=O)c1cscn1
InChIInChI=1S/C13H13N3O2S/c1-14-12(17)6-9-4-2-3-5-10(9)16-13(18)11-7-19-8-15-11/h2-5,7-8H,6H2,1H3,(H,14,17)(H,16,18)
InChIKeyDGYJPIOGOSUGOQ-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.68
Rot. Bonds4

About N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide

N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 62045995) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID62045995
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC NameN-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)Cc1ccccc1NC(=O)c1cscn1
InChIInChI=1S/C13H13N3O2S/c1-14-12(17)6-9-4-2-3-5-10(9)16-13(18)11-7-19-8-15-11/h2-5,7-8H,6H2,1H3,(H,14,17)(H,16,18)
InChIKeyDGYJPIOGOSUGOQ-UHFFFAOYSA-N
XLogP1.68
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 62046507
2-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide
CID 62787171
N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 62046847
N-methyl-2-[2-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
CID 115928894
2-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide
CID 103754489
N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 63024235
4-chloro-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 63307585
6-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide
CID 66462324
N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 175705206
N-[2-[[3-(carbamoylcarbamothioyl)-3,4-dichloro-4-hydroxycyclohexa-1,5-dien-1-yl]methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 91494559
N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62045168
2-[2-(thiadiazole-4-carbonylamino)phenyl]acetic acid
CID 65214345

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide (CID 62045995) is N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide is CNC(=O)Cc1ccccc1NC(=O)c1cscn1.
What is the InChIKey of N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DGYJPIOGOSUGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-14-12(17)6-9-4-2-3-5-10(9)16-13(18)11-7-19-8-15-11/h2-5,7-8H,6H2,1H3,(H,14,17)(H,16,18).
What are the key properties of N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide?
N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 275.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62045995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).