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

C9H12N4S — CID 62763383

IUPAC1-(1H-imidazol-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncc(CNCc2cnc[nH]2)s1
InChIInChI=1S/C9H12N4S/c1-7-12-5-9(14-7)4-10-2-8-3-11-6-13-8/h3,5-6,10H,2,4H2,1H3,(H,11,13)
InChIKeyKEHAVXZZWHRLTK-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.46
Rot. Bonds4

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

1-(1H-imidazol-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 62763383) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID62763383
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name1-(1H-imidazol-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncc(CNCc2cnc[nH]2)s1
InChIInChI=1S/C9H12N4S/c1-7-12-5-9(14-7)4-10-2-8-3-11-6-13-8/h3,5-6,10H,2,4H2,1H3,(H,11,13)
InChIKeyKEHAVXZZWHRLTK-UHFFFAOYSA-N
XLogP1.46
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(1H-imidazol-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 62763383) is 1-(1H-imidazol-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(1H-imidazol-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine is Cc1ncc(CNCc2cnc[nH]2)s1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is KEHAVXZZWHRLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-7-12-5-9(14-7)4-10-2-8-3-11-6-13-8/h3,5-6,10H,2,4H2,1H3,(H,11,13).
What are the key properties of 1-(1H-imidazol-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?
1-(1H-imidazol-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 208.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 62763383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).