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

C15H25N3O2S — CID 67548912

IUPACethyl 4-methyl-2-[4-(propylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCCCNC1CCN(c2nc(C)c(C(=O)OCC)s2)CC1
InChIInChI=1S/C15H25N3O2S/c1-4-8-16-12-6-9-18(10-7-12)15-17-11(3)13(21-15)14(19)20-5-2/h12,16H,4-10H2,1-3H3
InChIKeySVPXIKBMIJBFJX-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.60
Rot. Bonds6

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

ethyl 4-methyl-2-[4-(propylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylate (PubChem CID 67548912) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is ethyl 4-methyl-2-[4-(propylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[4-(propylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylate
PubChem CID67548912
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Nameethyl 4-methyl-2-[4-(propylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCCCNC1CCN(c2nc(C)c(C(=O)OCC)s2)CC1
InChIInChI=1S/C15H25N3O2S/c1-4-8-16-12-6-9-18(10-7-12)15-17-11(3)13(21-15)14(19)20-5-2/h12,16H,4-10H2,1-3H3
InChIKeySVPXIKBMIJBFJX-UHFFFAOYSA-N
XLogP2.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[4-(propylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[4-(propylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylate (CID 67548912) is ethyl 4-methyl-2-[4-(propylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[4-(propylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[4-(propylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylate is CCCNC1CCN(c2nc(C)c(C(=O)OCC)s2)CC1.
What is the InChIKey of ethyl 4-methyl-2-[4-(propylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is SVPXIKBMIJBFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-8-16-12-6-9-18(10-7-12)15-17-11(3)13(21-15)14(19)20-5-2/h12,16H,4-10H2,1-3H3.
What are the key properties of ethyl 4-methyl-2-[4-(propylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[4-(propylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 311.45 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[4-(propylamino)piperidin-1-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 67548912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).