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

C12H18N4S — CID 50948080

IUPACN-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncc(CN(C)CCc2scnc2C)[nH]1
InChIInChI=1S/C12H18N4S/c1-9-12(17-8-14-9)4-5-16(3)7-11-6-13-10(2)15-11/h6,8H,4-5,7H2,1-3H3,(H,13,15)
InChIKeyFABYCUFYFIGCOS-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.16
Rot. Bonds5

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

N-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 50948080) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID50948080
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC NameN-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncc(CN(C)CCc2scnc2C)[nH]1
InChIInChI=1S/C12H18N4S/c1-9-12(17-8-14-9)4-5-16(3)7-11-6-13-10(2)15-11/h6,8H,4-5,7H2,1-3H3,(H,13,15)
InChIKeyFABYCUFYFIGCOS-UHFFFAOYSA-N
XLogP2.16
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 50948080) is N-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is Cc1ncc(CN(C)CCc2scnc2C)[nH]1.
What is the InChIKey of N-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is FABYCUFYFIGCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-9-12(17-8-14-9)4-5-16(3)7-11-6-13-10(2)15-11/h6,8H,4-5,7H2,1-3H3,(H,13,15).
What are the key properties of N-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
N-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 250.37 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 50948080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).