[4-[(E)-4-amino-3-methylbut-3-enyl]-5-methyl-1,3-thiazol-2-yl]-piperazin-1-ylmethanone

C14H22N4OS — CID 70947009

IUPAC[4-[(E)-4-amino-3-methylbut-3-enyl]-5-methyl-1,3-thiazol-2-yl]-piperazin-1-ylmethanone
SMILESC/C(=C\N)CCc1nc(C(=O)N2CCNCC2)sc1C
InChIInChI=1S/C14H22N4OS/c1-10(9-15)3-4-12-11(2)20-13(17-12)14(19)18-7-5-16-6-8-18/h9,16H,3-8,15H2,1-2H3/b10-9+
InChIKeyRSIPUBARVHVNJA-MDZDMXLPSA-N
MW294.42 g/mol
LogP1.29
Rot. Bonds4

About [4-[(E)-4-amino-3-methylbut-3-enyl]-5-methyl-1,3-thiazol-2-yl]-piperazin-1-ylmethanone

[4-[(E)-4-amino-3-methylbut-3-enyl]-5-methyl-1,3-thiazol-2-yl]-piperazin-1-ylmethanone (PubChem CID 70947009) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is [4-[(E)-4-amino-3-methylbut-3-enyl]-5-methyl-1,3-thiazol-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(E)-4-amino-3-methylbut-3-enyl]-5-methyl-1,3-thiazol-2-yl]-piperazin-1-ylmethanone
PubChem CID70947009
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name[4-[(E)-4-amino-3-methylbut-3-enyl]-5-methyl-1,3-thiazol-2-yl]-piperazin-1-ylmethanone
SMILESC/C(=C\N)CCc1nc(C(=O)N2CCNCC2)sc1C
InChIInChI=1S/C14H22N4OS/c1-10(9-15)3-4-12-11(2)20-13(17-12)14(19)18-7-5-16-6-8-18/h9,16H,3-8,15H2,1-2H3/b10-9+
InChIKeyRSIPUBARVHVNJA-MDZDMXLPSA-N
XLogP1.29
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(E)-4-amino-3-methylbut-3-enyl]-5-methyl-1,3-thiazol-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [4-[(E)-4-amino-3-methylbut-3-enyl]-5-methyl-1,3-thiazol-2-yl]-piperazin-1-ylmethanone (CID 70947009) is [4-[(E)-4-amino-3-methylbut-3-enyl]-5-methyl-1,3-thiazol-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-[(E)-4-amino-3-methylbut-3-enyl]-5-methyl-1,3-thiazol-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-[(E)-4-amino-3-methylbut-3-enyl]-5-methyl-1,3-thiazol-2-yl]-piperazin-1-ylmethanone is C/C(=C\N)CCc1nc(C(=O)N2CCNCC2)sc1C.
What is the InChIKey of [4-[(E)-4-amino-3-methylbut-3-enyl]-5-methyl-1,3-thiazol-2-yl]-piperazin-1-ylmethanone?
The InChIKey is RSIPUBARVHVNJA-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-10(9-15)3-4-12-11(2)20-13(17-12)14(19)18-7-5-16-6-8-18/h9,16H,3-8,15H2,1-2H3/b10-9+.
What are the key properties of [4-[(E)-4-amino-3-methylbut-3-enyl]-5-methyl-1,3-thiazol-2-yl]-piperazin-1-ylmethanone?
[4-[(E)-4-amino-3-methylbut-3-enyl]-5-methyl-1,3-thiazol-2-yl]-piperazin-1-ylmethanone has a molecular weight of 294.42 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-4-amino-3-methylbut-3-enyl]-5-methyl-1,3-thiazol-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 70947009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).