methyl 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazine-2-carboxylate

C13H19N5O2S — CID 72940132

IUPACmethyl 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazine-2-carboxylate
SMILESCOC(=O)C1CN(c2nc3c(s2)c(C)nn3C)CCN1C
InChIInChI=1S/C13H19N5O2S/c1-8-10-11(17(3)15-8)14-13(21-10)18-6-5-16(2)9(7-18)12(19)20-4/h9H,5-7H2,1-4H3
InChIKeyQCGXOVJZOYJNNM-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.63
Rot. Bonds2

About methyl 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazine-2-carboxylate

methyl 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazine-2-carboxylate (PubChem CID 72940132) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is methyl 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazine-2-carboxylate
PubChem CID72940132
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Namemethyl 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazine-2-carboxylate
SMILESCOC(=O)C1CN(c2nc3c(s2)c(C)nn3C)CCN1C
InChIInChI=1S/C13H19N5O2S/c1-8-10-11(17(3)15-8)14-13(21-10)18-6-5-16(2)9(7-18)12(19)20-4/h9H,5-7H2,1-4H3
InChIKeyQCGXOVJZOYJNNM-UHFFFAOYSA-N
XLogP0.63
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 72925067
5-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 97278378
1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-3-yl]pyrrolidin-2-one
CID 72838541
5-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 72918037
[(3S)-1-[1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)piperidin-4-yl]piperidin-3-yl]methanol
CID 97286238
5-[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 97283268
5-[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 72922021
(4R)-1-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-N,N-dimethylazepan-4-amine
CID 97437728
9-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 72862125
4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-(2-phenylethyl)piperazin-2-one
CID 72919041
methyl 2-(3-ethyl-4-methylpiperazin-1-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115424528
methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylate
CID 115538567

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazine-2-carboxylate?
The IUPAC name of methyl 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazine-2-carboxylate (CID 72940132) is methyl 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazine-2-carboxylate.
What is the SMILES notation for methyl 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazine-2-carboxylate?
The canonical SMILES for methyl 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazine-2-carboxylate is COC(=O)C1CN(c2nc3c(s2)c(C)nn3C)CCN1C.
What is the InChIKey of methyl 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazine-2-carboxylate?
The InChIKey is QCGXOVJZOYJNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-8-10-11(17(3)15-8)14-13(21-10)18-6-5-16(2)9(7-18)12(19)20-4/h9H,5-7H2,1-4H3.
What are the key properties of methyl 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazine-2-carboxylate?
methyl 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazine-2-carboxylate has a molecular weight of 309.40 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-1-methylpiperazine-2-carboxylate is sourced from PubChem (CID 72940132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).