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

C9H12N4S — CID 63006064

IUPACN-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
SMILESCn1ccnc1CNCc1cscn1
InChIInChI=1S/C9H12N4S/c1-13-3-2-11-9(13)5-10-4-8-6-14-7-12-8/h2-3,6-7,10H,4-5H2,1H3
InChIKeyCHJOGOXZRUYUDO-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.17
Rot. Bonds4

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

N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine (PubChem CID 63006064) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
PubChem CID63006064
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine
SMILESCn1ccnc1CNCc1cscn1
InChIInChI=1S/C9H12N4S/c1-13-3-2-11-9(13)5-10-4-8-6-14-7-12-8/h2-3,6-7,10H,4-5H2,1H3
InChIKeyCHJOGOXZRUYUDO-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-methyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
CID 63831167
N-[(1-ethylimidazol-2-yl)methyl]-2-(1,3-thiazol-4-yl)ethanamine
CID 63830781
N-[(1-methylimidazol-2-yl)methyl]-1-(2,4,5-trifluorophenyl)methanamine
CID 113263576
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 63296087
1-(3-methylimidazol-4-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 63237108
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine
CID 64570643
1-methyl-N-(1,3-thiazol-4-ylmethyl)-1,2,4-triazol-3-amine
CID 131086458
2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
CID 63295776
N-[(1-methylimidazol-2-yl)methyl]-1-(3-methyltriazol-4-yl)methanamine
CID 115682578
N-[(1-methylimidazol-2-yl)methyl]thiophen-3-amine
CID 66350553

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine (CID 63006064) is N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine is Cn1ccnc1CNCc1cscn1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
The InChIKey is CHJOGOXZRUYUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-13-3-2-11-9(13)5-10-4-8-6-14-7-12-8/h2-3,6-7,10H,4-5H2,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine?
N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-4-yl)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 N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 63006064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).