4-(2-methoxyethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

C12H20N4O2S — CID 100669872

IUPAC4-(2-methoxyethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCOCCN1CCN(C(=O)Nc2nc(C)cs2)CC1
InChIInChI=1S/C12H20N4O2S/c1-10-9-19-11(13-10)14-12(17)16-5-3-15(4-6-16)7-8-18-2/h9H,3-8H2,1-2H3,(H,13,14,17)
InChIKeyRJZNNBVDIBGMFR-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.25
Rot. Bonds4

About 4-(2-methoxyethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

4-(2-methoxyethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 100669872) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID100669872
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name4-(2-methoxyethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCOCCN1CCN(C(=O)Nc2nc(C)cs2)CC1
InChIInChI=1S/C12H20N4O2S/c1-10-9-19-11(13-10)14-12(17)16-5-3-15(4-6-16)7-8-18-2/h9H,3-8H2,1-2H3,(H,13,14,17)
InChIKeyRJZNNBVDIBGMFR-UHFFFAOYSA-N
XLogP1.25
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-methoxyethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 100669872) is 4-(2-methoxyethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methoxyethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methoxyethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is COCCN1CCN(C(=O)Nc2nc(C)cs2)CC1.
What is the InChIKey of 4-(2-methoxyethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is RJZNNBVDIBGMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-10-9-19-11(13-10)14-12(17)16-5-3-15(4-6-16)7-8-18-2/h9H,3-8H2,1-2H3,(H,13,14,17).
What are the key properties of 4-(2-methoxyethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-(2-methoxyethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-N-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 100669872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).