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

C13H14N4O2S — CID 62787171

IUPAC2-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)Cc1ccccc1NC(=O)c1csc(N)n1
InChIInChI=1S/C13H14N4O2S/c1-15-11(18)6-8-4-2-3-5-9(8)16-12(19)10-7-20-13(14)17-10/h2-5,7H,6H2,1H3,(H2,14,17)(H,15,18)(H,16,19)
InChIKeyIMVVUZBYCKFFHG-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.27
Rot. Bonds4

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

2-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 62787171) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID62787171
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC Name2-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)Cc1ccccc1NC(=O)c1csc(N)n1
InChIInChI=1S/C13H14N4O2S/c1-15-11(18)6-8-4-2-3-5-9(8)16-12(19)10-7-20-13(14)17-10/h2-5,7H,6H2,1H3,(H2,14,17)(H,15,18)(H,16,19)
InChIKeyIMVVUZBYCKFFHG-UHFFFAOYSA-N
XLogP1.27
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide
CID 62045995
2-amino-N-[2-methyl-3-(propanoylamino)phenyl]-1,3-thiazole-4-carboxamide
CID 62788927
2-amino-N-(2,6-diethylphenyl)-1,3-thiazole-4-carboxamide
CID 55115870
2-[2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
CID 65199403
2-amino-N-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 62789087
2-amino-N-[2-(trifluoromethylsulfanyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788906
2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788909
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-N-methylbenzamide
CID 62795551
6-bromo-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]pyridine-3-carboxamide
CID 66462324
2-(aminomethyl)-N-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66376075
2-amino-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 55116247
2-amino-N-quinolin-5-yl-1,3-thiazole-4-carboxamide
CID 55115964

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide (CID 62787171) is 2-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide is CNC(=O)Cc1ccccc1NC(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IMVVUZBYCKFFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-15-11(18)6-8-4-2-3-5-9(8)16-12(19)10-7-20-13(14)17-10/h2-5,7H,6H2,1H3,(H2,14,17)(H,15,18)(H,16,19).
What are the key properties of 2-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62787171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).