N-methyl-5-[(2-methyl-4-prop-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine

C13H22N4S — CID 146664779

IUPACN-methyl-5-[(2-methyl-4-prop-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESC=C(C)N1CCN(Cc2cnc(NC)s2)C(C)C1
InChIInChI=1S/C13H22N4S/c1-10(2)16-5-6-17(11(3)8-16)9-12-7-15-13(14-4)18-12/h7,11H,1,5-6,8-9H2,2-4H3,(H,14,15)
InChIKeyJJJBEXNWWXNFOZ-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.22
Rot. Bonds4

About N-methyl-5-[(2-methyl-4-prop-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine

N-methyl-5-[(2-methyl-4-prop-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 146664779) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-methyl-5-[(2-methyl-4-prop-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(2-methyl-4-prop-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID146664779
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC NameN-methyl-5-[(2-methyl-4-prop-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESC=C(C)N1CCN(Cc2cnc(NC)s2)C(C)C1
InChIInChI=1S/C13H22N4S/c1-10(2)16-5-6-17(11(3)8-16)9-12-7-15-13(14-4)18-12/h7,11H,1,5-6,8-9H2,2-4H3,(H,14,15)
InChIKeyJJJBEXNWWXNFOZ-UHFFFAOYSA-N
XLogP2.22
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2-methyl-4-prop-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-[(2-methyl-4-prop-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine (CID 146664779) is N-methyl-5-[(2-methyl-4-prop-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-[(2-methyl-4-prop-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-[(2-methyl-4-prop-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine is C=C(C)N1CCN(Cc2cnc(NC)s2)C(C)C1.
What is the InChIKey of N-methyl-5-[(2-methyl-4-prop-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is JJJBEXNWWXNFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-10(2)16-5-6-17(11(3)8-16)9-12-7-15-13(14-4)18-12/h7,11H,1,5-6,8-9H2,2-4H3,(H,14,15).
What are the key properties of N-methyl-5-[(2-methyl-4-prop-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
N-methyl-5-[(2-methyl-4-prop-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 266.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2-methyl-4-prop-1-en-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 146664779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).