ethyl 2-[(1-ethylpyrazol-4-yl)amino]-1,3-thiazole-4-carboxylate

C11H14N4O2S — CID 80569285

IUPACethyl 2-[(1-ethylpyrazol-4-yl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2cnn(CC)c2)n1
InChIInChI=1S/C11H14N4O2S/c1-3-15-6-8(5-12-15)13-11-14-9(7-18-11)10(16)17-4-2/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyVMBLBKVHPYZOOV-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.28
Rot. Bonds5

About ethyl 2-[(1-ethylpyrazol-4-yl)amino]-1,3-thiazole-4-carboxylate

ethyl 2-[(1-ethylpyrazol-4-yl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 80569285) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is ethyl 2-[(1-ethylpyrazol-4-yl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1-ethylpyrazol-4-yl)amino]-1,3-thiazole-4-carboxylate
PubChem CID80569285
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Nameethyl 2-[(1-ethylpyrazol-4-yl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(Nc2cnn(CC)c2)n1
InChIInChI=1S/C11H14N4O2S/c1-3-15-6-8(5-12-15)13-11-14-9(7-18-11)10(16)17-4-2/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyVMBLBKVHPYZOOV-UHFFFAOYSA-N
XLogP2.28
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
ethyl 2-[[1-(oxan-2-yl)pyrazol-4-yl]amino]-1,3-thiazole-4-carboxylate
CID 171636974
ethyl 2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 78919756
ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate
CID 113221139
ethyl 2-(2,6-dibromo-4-methylanilino)-1,3-thiazole-4-carboxylate
CID 80567895
ethyl 5-[(1-ethylpyrazol-4-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79375656
ethyl 2-(3-chloro-5-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 107371000
ethyl 2-(2,6-dichloroanilino)-1,3-thiazole-4-carboxylate
CID 80568594
ethyl 2-[3-(dimethylamino)-4-methylanilino]-1,3-thiazole-4-carboxylate
CID 115379577
ethyl 2-(3-bromo-4-chloroanilino)-1,3-thiazole-4-carboxylate
CID 80569528
ethyl 2-(3,4-dicyanoanilino)-1,3-thiazole-4-carboxylate
CID 107794704
ethyl 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 52903989

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-ethylpyrazol-4-yl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(1-ethylpyrazol-4-yl)amino]-1,3-thiazole-4-carboxylate (CID 80569285) is ethyl 2-[(1-ethylpyrazol-4-yl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(1-ethylpyrazol-4-yl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(1-ethylpyrazol-4-yl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(Nc2cnn(CC)c2)n1.
What is the InChIKey of ethyl 2-[(1-ethylpyrazol-4-yl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is VMBLBKVHPYZOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-3-15-6-8(5-12-15)13-11-14-9(7-18-11)10(16)17-4-2/h5-7H,3-4H2,1-2H3,(H,13,14).
What are the key properties of ethyl 2-[(1-ethylpyrazol-4-yl)amino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(1-ethylpyrazol-4-yl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 266.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-ethylpyrazol-4-yl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 80569285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).