N-methyl-5-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine

C10H18N4S — CID 146664787

IUPACN-methyl-5-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCNc1ncc(CN2CCNCC2C)s1
InChIInChI=1S/C10H18N4S/c1-8-5-12-3-4-14(8)7-9-6-13-10(11-2)15-9/h6,8,12H,3-5,7H2,1-2H3,(H,11,13)
InChIKeyNQNMTSXWSAPVNG-UHFFFAOYSA-N
MW226.35 g/mol
LogP0.98
Rot. Bonds3

About N-methyl-5-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine

N-methyl-5-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 146664787) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is N-methyl-5-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
PubChem CID146664787
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC NameN-methyl-5-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
SMILESCNc1ncc(CN2CCNCC2C)s1
InChIInChI=1S/C10H18N4S/c1-8-5-12-3-4-14(8)7-9-6-13-10(11-2)15-9/h6,8,12H,3-5,7H2,1-2H3,(H,11,13)
InChIKeyNQNMTSXWSAPVNG-UHFFFAOYSA-N
XLogP0.98
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine (CID 146664787) is N-methyl-5-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine is CNc1ncc(CN2CCNCC2C)s1.
What is the InChIKey of N-methyl-5-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is NQNMTSXWSAPVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-8-5-12-3-4-14(8)7-9-6-13-10(11-2)15-9/h6,8,12H,3-5,7H2,1-2H3,(H,11,13).
What are the key properties of N-methyl-5-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine?
N-methyl-5-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 226.35 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 146664787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).