1-(3-methylimidazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine

C9H12N4S — CID 63001488

IUPAC1-(3-methylimidazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCn1cncc1CNCc1nccs1
InChIInChI=1S/C9H12N4S/c1-13-7-11-5-8(13)4-10-6-9-12-2-3-14-9/h2-3,5,7,10H,4,6H2,1H3
InChIKeyLIENVXIPKLXOID-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.17
Rot. Bonds4

About 1-(3-methylimidazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine

1-(3-methylimidazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 63001488) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-(3-methylimidazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-methylimidazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID63001488
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name1-(3-methylimidazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESCn1cncc1CNCc1nccs1
InChIInChI=1S/C9H12N4S/c1-13-7-11-5-8(13)4-10-6-9-12-2-3-14-9/h2-3,5,7,10H,4,6H2,1H3
InChIKeyLIENVXIPKLXOID-UHFFFAOYSA-N
XLogP1.17
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylimidazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 62998460
N-[(3-methylimidazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62999179
1-(3-methylimidazol-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63237108
1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61034807
N-[(3-methylimidazol-4-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
CID 63002010
2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanone
CID 18324407
N-ethyl-N'-[(3-methylimidazol-4-yl)methyl]propane-1,3-diamine
CID 103510883
N-[(3-methylimidazol-4-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanamine
CID 63031421
1-(3-methylimidazol-4-yl)-N-(2H-tetrazol-5-ylmethyl)methanamine
CID 66117922
2-imidazol-1-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 62999538
1-(3-ethoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 63001902
2-ethoxy-2-methyl-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 114940693

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylimidazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(3-methylimidazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 63001488) is 1-(3-methylimidazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-methylimidazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3-methylimidazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is Cn1cncc1CNCc1nccs1.
What is the InChIKey of 1-(3-methylimidazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is LIENVXIPKLXOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-13-7-11-5-8(13)4-10-6-9-12-2-3-14-9/h2-3,5,7,10H,4,6H2,1H3.
What are the key properties of 1-(3-methylimidazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-(3-methylimidazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 208.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylimidazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 63001488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).