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

C10H14N4S — CID 75500657

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine
SMILESCN(Cc1cncs1)Cc1nccn1C
InChIInChI=1S/C10H14N4S/c1-13(6-9-5-11-8-15-9)7-10-12-3-4-14(10)2/h3-5,8H,6-7H2,1-2H3
InChIKeyFKVVPFFXPTVNIC-UHFFFAOYSA-N
MW222.32 g/mol
LogP1.51
Rot. Bonds4

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

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine (PubChem CID 75500657) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine
PubChem CID75500657
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine
SMILESCN(Cc1cncs1)Cc1nccn1C
InChIInChI=1S/C10H14N4S/c1-13(6-9-5-11-8-15-9)7-10-12-3-4-14(10)2/h3-5,8H,6-7H2,1-2H3
InChIKeyFKVVPFFXPTVNIC-UHFFFAOYSA-N
XLogP1.51
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine (CID 75500657) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine is CN(Cc1cncs1)Cc1nccn1C.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine?
The InChIKey is FKVVPFFXPTVNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-13(6-9-5-11-8-15-9)7-10-12-3-4-14(10)2/h3-5,8H,6-7H2,1-2H3.
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine has a molecular weight of 222.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 75500657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).