methyl 4-chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate

C10H14ClN3O2S — CID 47256155

IUPACmethyl 4-chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N2CCN(C)CC2)nc1Cl
InChIInChI=1S/C10H14ClN3O2S/c1-13-3-5-14(6-4-13)10-12-8(11)7(17-10)9(15)16-2/h3-6H2,1-2H3
InChIKeySFVWQXGJUFGWSO-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.33
Rot. Bonds2

About methyl 4-chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate (PubChem CID 47256155) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is methyl 4-chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate
PubChem CID47256155
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Namemethyl 4-chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N2CCN(C)CC2)nc1Cl
InChIInChI=1S/C10H14ClN3O2S/c1-13-3-5-14(6-4-13)10-12-8(11)7(17-10)9(15)16-2/h3-6H2,1-2H3
InChIKeySFVWQXGJUFGWSO-UHFFFAOYSA-N
XLogP1.33
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate (CID 47256155) is methyl 4-chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N2CCN(C)CC2)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is SFVWQXGJUFGWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c1-13-3-5-14(6-4-13)10-12-8(11)7(17-10)9(15)16-2/h3-6H2,1-2H3.
What are the key properties of methyl 4-chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 275.76 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 47256155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).