N-benzyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine

C13H17N3S — CID 62750736

IUPACN-benzyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCNCc1cnc(N(C)Cc2ccccc2)s1
InChIInChI=1S/C13H17N3S/c1-14-8-12-9-15-13(17-12)16(2)10-11-6-4-3-5-7-11/h3-7,9,14H,8,10H2,1-2H3
InChIKeyCXLSMPPVTDLPKH-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.50
Rot. Bonds5

About N-benzyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine

N-benzyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 62750736) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
PubChem CID62750736
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-benzyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
SMILESCNCc1cnc(N(C)Cc2ccccc2)s1
InChIInChI=1S/C13H17N3S/c1-14-8-12-9-15-13(17-12)16(2)10-11-6-4-3-5-7-11/h3-7,9,14H,8,10H2,1-2H3
InChIKeyCXLSMPPVTDLPKH-UHFFFAOYSA-N
XLogP2.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-benzyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine (CID 62750736) is N-benzyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-benzyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-benzyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine is CNCc1cnc(N(C)Cc2ccccc2)s1.
What is the InChIKey of N-benzyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is CXLSMPPVTDLPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-14-8-12-9-15-13(17-12)16(2)10-11-6-4-3-5-7-11/h3-7,9,14H,8,10H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine?
N-benzyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 247.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62750736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).