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

C13H20N4O2S — CID 103380879

IUPACmethyl 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1N1CCN(CC2CC2)CC1
InChIInChI=1S/C13H20N4O2S/c1-19-13(18)10-11(14)15-20-12(10)17-6-4-16(5-7-17)8-9-2-3-9/h9H,2-8H2,1H3,(H2,14,15)
InChIKeyKSTBDGNEHDKHAI-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.04
Rot. Bonds4

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

methyl 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxylate (PubChem CID 103380879) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is methyl 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxylate
PubChem CID103380879
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Namemethyl 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1N1CCN(CC2CC2)CC1
InChIInChI=1S/C13H20N4O2S/c1-19-13(18)10-11(14)15-20-12(10)17-6-4-16(5-7-17)8-9-2-3-9/h9H,2-8H2,1H3,(H2,14,15)
InChIKeyKSTBDGNEHDKHAI-UHFFFAOYSA-N
XLogP1.04
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxamide
CID 103380877
3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380880
methyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103381026
5-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methoxy-1,2-thiazol-3-amine
CID 103380881
methyl 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103384135
ethyl 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxylate
CID 103381006
methyl 3-amino-5-[3-(dimethylamino)piperidin-1-yl]-1,2-thiazole-4-carboxylate
CID 103382204
methyl 3-amino-5-(2-methylpyrrolidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103380950
3-amino-5-(4-ethylpiperazin-1-yl)-1,2-thiazole-4-carboxamide
CID 103381043
methyl 3-amino-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carboxylate
CID 103382171
3-amino-5-(4-ethylpiperidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103380794
5-(4-acetylpiperazin-1-yl)-3-amino-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103381010

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxylate (CID 103380879) is methyl 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxylate is COC(=O)c1c(N)nsc1N1CCN(CC2CC2)CC1.
What is the InChIKey of methyl 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxylate?
The InChIKey is KSTBDGNEHDKHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-19-13(18)10-11(14)15-20-12(10)17-6-4-16(5-7-17)8-9-2-3-9/h9H,2-8H2,1H3,(H2,14,15).
What are the key properties of methyl 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxylate?
methyl 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxylate has a molecular weight of 296.40 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103380879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).