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

C14H24N4O2S — CID 116526911

IUPACethyl 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NCC2CN(C)CCN2C)sc1C
InChIInChI=1S/C14H24N4O2S/c1-5-20-13(19)12-10(2)21-14(16-12)15-8-11-9-17(3)6-7-18(11)4/h11H,5-9H2,1-4H3,(H,15,16)
InChIKeyKOBKJRWTRLTBMB-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.29
Rot. Bonds5

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

ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 116526911) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID116526911
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Nameethyl 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(NCC2CN(C)CCN2C)sc1C
InChIInChI=1S/C14H24N4O2S/c1-5-20-13(19)12-10(2)21-14(16-12)15-8-11-9-17(3)6-7-18(11)4/h11H,5-9H2,1-4H3,(H,15,16)
InChIKeyKOBKJRWTRLTBMB-UHFFFAOYSA-N
XLogP1.29
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 5-methyl-2-[(1-methylpiperidin-2-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526634
ethyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526353
ethyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526554
ethyl 5-methyl-2-[(4-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526837
ethyl 5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526599
methyl 5-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 113306772
ethyl 2-[(1,2-dimethylpiperidin-4-yl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116527037
ethyl 5-methyl-2-[(5-oxopyrrolidin-2-yl)methylamino]-1,3-thiazole-4-carboxylate
CID 116526940
methyl 2-(cyclopropylmethylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 115423035
ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526343
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 80568507
ethyl 5-methyl-2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 106259396

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate (CID 116526911) is ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(NCC2CN(C)CCN2C)sc1C.
What is the InChIKey of ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is KOBKJRWTRLTBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-5-20-13(19)12-10(2)21-14(16-12)15-8-11-9-17(3)6-7-18(11)4/h11H,5-9H2,1-4H3,(H,15,16).
What are the key properties of ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate?
ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 312.44 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1,4-dimethylpiperazin-2-yl)methylamino]-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116526911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).