5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole

C12H21N3S — CID 18738455

IUPAC5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(CN2CCN(C)CC2)s1
InChIInChI=1S/C12H21N3S/c1-10(2)12-13-8-11(16-12)9-15-6-4-14(3)5-7-15/h8,10H,4-7,9H2,1-3H3
InChIKeyDJUJJOYNKYIGJD-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.01
Rot. Bonds3

About 5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole

5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole (PubChem CID 18738455) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
PubChem CID18738455
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(CN2CCN(C)CC2)s1
InChIInChI=1S/C12H21N3S/c1-10(2)12-13-8-11(16-12)9-15-6-4-14(3)5-7-15/h8,10H,4-7,9H2,1-3H3
InChIKeyDJUJJOYNKYIGJD-UHFFFAOYSA-N
XLogP2.01
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole (CID 18738455) is 5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole is CC(C)c1ncc(CN2CCN(C)CC2)s1.
What is the InChIKey of 5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole?
The InChIKey is DJUJJOYNKYIGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10(2)12-13-8-11(16-12)9-15-6-4-14(3)5-7-15/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole?
5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole has a molecular weight of 239.39 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperazin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 18738455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).