2-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid

C12H16N4O2S — CID 112672169

IUPAC2-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCCc1nn(C)cc1CNc1nc(CC(=O)O)cs1
InChIInChI=1S/C12H16N4O2S/c1-3-10-8(6-16(2)15-10)5-13-12-14-9(7-19-12)4-11(17)18/h6-7H,3-5H2,1-2H3,(H,13,14)(H,17,18)
InChIKeyWFCSARYFBWVVAO-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.68
Rot. Bonds6

About 2-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid

2-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 112672169) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID112672169
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name2-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCCc1nn(C)cc1CNc1nc(CC(=O)O)cs1
InChIInChI=1S/C12H16N4O2S/c1-3-10-8(6-16(2)15-10)5-13-12-14-9(7-19-12)4-11(17)18/h6-7H,3-5H2,1-2H3,(H,13,14)(H,17,18)
InChIKeyWFCSARYFBWVVAO-UHFFFAOYSA-N
XLogP1.68
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 102810057
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-ethyl-1,3-thiazol-2-amine
CID 112670751
2-[2-[(1-methylpyrazol-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 80575860
5-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 112549988
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133444995
2-[2-(pentylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575582
2-[2-[(2-bromophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 80575894
2-[2-(2-methylbutylamino)-1,3-thiazol-4-yl]acetic acid
CID 80576968
2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 9148773
6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylic acid
CID 112670129
2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid
CID 62960794
2-[2-[(2,5-difluorophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 80576016

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid (CID 112672169) is 2-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid is CCc1nn(C)cc1CNc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is WFCSARYFBWVVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-3-10-8(6-16(2)15-10)5-13-12-14-9(7-19-12)4-11(17)18/h6-7H,3-5H2,1-2H3,(H,13,14)(H,17,18).
What are the key properties of 2-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 280.35 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 112672169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).