ethyl 3-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate

C12H17N5O2S — CID 103380609

IUPACethyl 3-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1N(C)Cc1cnn(C)c1
InChIInChI=1S/C12H17N5O2S/c1-4-19-12(18)9-10(13)15-20-11(9)16(2)6-8-5-14-17(3)7-8/h5,7H,4,6H2,1-3H3,(H2,13,15)
InChIKeyWXQDFXOXAYYNGC-UHFFFAOYSA-N
MW295.37 g/mol
LogP1.27
Rot. Bonds5

About ethyl 3-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate

ethyl 3-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate (PubChem CID 103380609) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is ethyl 3-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate
PubChem CID103380609
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Nameethyl 3-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1N(C)Cc1cnn(C)c1
InChIInChI=1S/C12H17N5O2S/c1-4-19-12(18)9-10(13)15-20-11(9)16(2)6-8-5-14-17(3)7-8/h5,7H,4,6H2,1-3H3,(H2,13,15)
InChIKeyWXQDFXOXAYYNGC-UHFFFAOYSA-N
XLogP1.27
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-N-methyl-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxamide
CID 103380614
ethyl 3-amino-5-[(3-bromophenyl)methyl-methylamino]-1,2-thiazole-4-carboxylate
CID 103380476
ethyl 3-amino-5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1,2-thiazole-4-carboxylate
CID 103381836
ethyl 3-amino-5-[cyclohexylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate
CID 103380786
5-N-methyl-5-N-[(1-methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1,2-thiazole-3,5-diamine
CID 103361622
diethyl 3-methyl-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]thiophene-2,4-dicarboxylate
CID 31906804
ethyl 3-amino-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103379749
3-amino-5-[benzyl(methyl)amino]-1,2-thiazole-4-carboxamide
CID 103381354
ethyl 3-amino-5-[3-(dimethylamino)propyl-ethylamino]-1,2-thiazole-4-carboxylate
CID 103384853
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
ethyl 3-amino-5-[cyclopropylmethyl(propan-2-yl)amino]-1,2-thiazole-4-carboxylate
CID 103380752
ethyl 5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-4-oxopentanoate
CID 103484374

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate (CID 103380609) is ethyl 3-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(N)nsc1N(C)Cc1cnn(C)c1.
What is the InChIKey of ethyl 3-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate?
The InChIKey is WXQDFXOXAYYNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-4-19-12(18)9-10(13)15-20-11(9)16(2)6-8-5-14-17(3)7-8/h5,7H,4,6H2,1-3H3,(H2,13,15).
What are the key properties of ethyl 3-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate?
ethyl 3-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate has a molecular weight of 295.37 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103380609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).