N-methyl-4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine

C12H19N5S — CID 114275837

IUPACN-methyl-4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCNCCc1csc(N(C)Cc2nccn2C)n1
InChIInChI=1S/C12H19N5S/c1-13-5-4-10-9-18-12(15-10)17(3)8-11-14-6-7-16(11)2/h6-7,9,13H,4-5,8H2,1-3H3
InChIKeyKRKVDNKTVYWSKT-UHFFFAOYSA-N
MW265.39 g/mol
LogP1.27
Rot. Bonds6

About N-methyl-4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine

N-methyl-4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 114275837) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is N-methyl-4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID114275837
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC NameN-methyl-4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCNCCc1csc(N(C)Cc2nccn2C)n1
InChIInChI=1S/C12H19N5S/c1-13-5-4-10-9-18-12(15-10)17(3)8-11-14-6-7-16(11)2/h6-7,9,13H,4-5,8H2,1-3H3
InChIKeyKRKVDNKTVYWSKT-UHFFFAOYSA-N
XLogP1.27
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine (CID 114275837) is N-methyl-4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine is CNCCc1csc(N(C)Cc2nccn2C)n1.
What is the InChIKey of N-methyl-4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is KRKVDNKTVYWSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-13-5-4-10-9-18-12(15-10)17(3)8-11-14-6-7-16(11)2/h6-7,9,13H,4-5,8H2,1-3H3.
What are the key properties of N-methyl-4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine?
N-methyl-4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 265.39 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 114275837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).