N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine

C13H24N4S — CID 42604370

IUPACN-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCCCN1CCN(c2ncc(CCNC)s2)CC1
InChIInChI=1S/C13H24N4S/c1-3-6-16-7-9-17(10-8-16)13-15-11-12(18-13)4-5-14-2/h11,14H,3-10H2,1-2H3
InChIKeyOJBJXDJYGJTNEH-UHFFFAOYSA-N
MW268.43 g/mol
LogP1.44
Rot. Bonds6

About N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine

N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 42604370) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID42604370
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC NameN-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCCCN1CCN(c2ncc(CCNC)s2)CC1
InChIInChI=1S/C13H24N4S/c1-3-6-16-7-9-17(10-8-16)13-15-11-12(18-13)4-5-14-2/h11,14H,3-10H2,1-2H3
InChIKeyOJBJXDJYGJTNEH-UHFFFAOYSA-N
XLogP1.44
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine (CID 42604370) is N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine is CCCN1CCN(c2ncc(CCNC)s2)CC1.
What is the InChIKey of N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is OJBJXDJYGJTNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-3-6-16-7-9-17(10-8-16)13-15-11-12(18-13)4-5-14-2/h11,14H,3-10H2,1-2H3.
What are the key properties of N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 268.43 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 42604370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).