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

C11H16N4S — CID 115680207

IUPACN-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1cnc(C(C)NCc2cncn2C)s1
InChIInChI=1S/C11H16N4S/c1-8-4-14-11(16-8)9(2)13-6-10-5-12-7-15(10)3/h4-5,7,9,13H,6H2,1-3H3
InChIKeyYQFBTUYTSBMXGZ-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.04
Rot. Bonds4

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

N-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 115680207) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID115680207
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1cnc(C(C)NCc2cncn2C)s1
InChIInChI=1S/C11H16N4S/c1-8-4-14-11(16-8)9(2)13-6-10-5-12-7-15(10)3/h4-5,7,9,13H,6H2,1-3H3
InChIKeyYQFBTUYTSBMXGZ-UHFFFAOYSA-N
XLogP2.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 112696986
(1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405813
(1S)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 78921600
1-(5-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 115680118
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 102837273
1-(4-fluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 62997912
N-[(2-methylphenyl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 112697036
2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol
CID 66117228
N-(2-methylsulfanylethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 104579941
1-(2-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 62997890
N-[[4-(methoxymethyl)phenyl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115680140
2-[(3-methylimidazol-4-yl)methylamino]propane-1,3-diol
CID 66117929

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine (CID 115680207) is N-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine is Cc1cnc(C(C)NCc2cncn2C)s1.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is YQFBTUYTSBMXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-8-4-14-11(16-8)9(2)13-6-10-5-12-7-15(10)3/h4-5,7,9,13H,6H2,1-3H3.
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
N-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 236.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 115680207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).