2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide

C11H14N6O2S — CID 62793607

IUPAC2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)Cn1cc(NC(=O)c2sc(N)nc2C)cn1
InChIInChI=1S/C11H14N6O2S/c1-6-9(20-11(12)15-6)10(19)16-7-3-14-17(4-7)5-8(18)13-2/h3-4H,5H2,1-2H3,(H2,12,15)(H,13,18)(H,16,19)
InChIKeyMJIDKOJKSIDSDD-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.23
Rot. Bonds4

About 2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide

2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 62793607) has the molecular formula C11H14N6O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID62793607
Molecular FormulaC11H14N6O2S
Molecular Weight294.34 g/mol
Exact Mass294.09
IUPAC Name2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)Cn1cc(NC(=O)c2sc(N)nc2C)cn1
InChIInChI=1S/C11H14N6O2S/c1-6-9(20-11(12)15-6)10(19)16-7-3-14-17(4-7)5-8(18)13-2/h3-4H,5H2,1-2H3,(H2,12,15)(H,13,18)(H,16,19)
InChIKeyMJIDKOJKSIDSDD-UHFFFAOYSA-N
XLogP0.23
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 60946190
2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 62794600
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
2-amino-4-methyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 62792729
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 54863171
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
4-amino-3-hydroxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 107074249
3,5-dibromo-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 103908065
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-methylthiophene-2-carboxamide
CID 47057481
4-amino-2-chloro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 61103330
4-chloro-6-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pyridine-3-carboxamide
CID 81228976
2-amino-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793569

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide (CID 62793607) is 2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide is CNC(=O)Cn1cc(NC(=O)c2sc(N)nc2C)cn1.
What is the InChIKey of 2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is MJIDKOJKSIDSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2S/c1-6-9(20-11(12)15-6)10(19)16-7-3-14-17(4-7)5-8(18)13-2/h3-4H,5H2,1-2H3,(H2,12,15)(H,13,18)(H,16,19).
What are the key properties of 2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide?
2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 62793607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).