ethyl 2-[2-(1H-pyrazol-4-ylmethylamino)-1,3-thiazol-4-yl]acetate

C11H14N4O2S — CID 80575988

IUPACethyl 2-[2-(1H-pyrazol-4-ylmethylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NCc2cn[nH]c2)n1
InChIInChI=1S/C11H14N4O2S/c1-2-17-10(16)3-9-7-18-11(15-9)12-4-8-5-13-14-6-8/h5-7H,2-4H2,1H3,(H,12,15)(H,13,14)
InChIKeyWNHUJYAFCVMJIX-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.58
Rot. Bonds6

About ethyl 2-[2-(1H-pyrazol-4-ylmethylamino)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(1H-pyrazol-4-ylmethylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 80575988) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is ethyl 2-[2-(1H-pyrazol-4-ylmethylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(1H-pyrazol-4-ylmethylamino)-1,3-thiazol-4-yl]acetate
PubChem CID80575988
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Nameethyl 2-[2-(1H-pyrazol-4-ylmethylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NCc2cn[nH]c2)n1
InChIInChI=1S/C11H14N4O2S/c1-2-17-10(16)3-9-7-18-11(15-9)12-4-8-5-13-14-6-8/h5-7H,2-4H2,1H3,(H,12,15)(H,13,14)
InChIKeyWNHUJYAFCVMJIX-UHFFFAOYSA-N
XLogP1.58
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-(benzylamino)-1,3-thiazol-4-yl]acetate
CID 1132760
ethyl 2-[2-(2H-tetrazol-5-ylmethylamino)-1,3-thiazol-4-yl]acetate
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ethyl 2-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575326
ethyl 2-[2-[(3-fluorophenyl)methylamino]-1,3-thiazol-4-yl]acetate
CID 80575641
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CID 80575297
ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate
CID 78907475
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-(1H-pyrazol-4-yl)acetate
CID 20555345
ethyl 2-[2-[2-(dimethylamino)ethylamino]-1,3-thiazol-4-yl]acetate
CID 78912318
ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 129010827
ethyl 2-[2-(prop-2-enoylamino)-1,3-thiazol-4-yl]acetate
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ethyl 2-[2-(3-methylsulfanylpropylamino)-1,3-thiazol-4-yl]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1H-pyrazol-4-ylmethylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(1H-pyrazol-4-ylmethylamino)-1,3-thiazol-4-yl]acetate (CID 80575988) is ethyl 2-[2-(1H-pyrazol-4-ylmethylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(1H-pyrazol-4-ylmethylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(1H-pyrazol-4-ylmethylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NCc2cn[nH]c2)n1.
What is the InChIKey of ethyl 2-[2-(1H-pyrazol-4-ylmethylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is WNHUJYAFCVMJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-2-17-10(16)3-9-7-18-11(15-9)12-4-8-5-13-14-6-8/h5-7H,2-4H2,1H3,(H,12,15)(H,13,14).
What are the key properties of ethyl 2-[2-(1H-pyrazol-4-ylmethylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(1H-pyrazol-4-ylmethylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 266.33 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1H-pyrazol-4-ylmethylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80575988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).