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

C9H12N4S — CID 130632485

IUPACN-methyl-1-[2-(2-methylimidazol-1-yl)-1,3-thiazol-4-yl]methanamine
SMILESCNCc1csc(-n2ccnc2C)n1
InChIInChI=1S/C9H12N4S/c1-7-11-3-4-13(7)9-12-8(5-10-2)6-14-9/h3-4,6,10H,5H2,1-2H3
InChIKeyFKVOZHBFGSTTLO-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.36
Rot. Bonds3

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

N-methyl-1-[2-(2-methylimidazol-1-yl)-1,3-thiazol-4-yl]methanamine (PubChem CID 130632485) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylimidazol-1-yl)-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylimidazol-1-yl)-1,3-thiazol-4-yl]methanamine
PubChem CID130632485
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC NameN-methyl-1-[2-(2-methylimidazol-1-yl)-1,3-thiazol-4-yl]methanamine
SMILESCNCc1csc(-n2ccnc2C)n1
InChIInChI=1S/C9H12N4S/c1-7-11-3-4-13(7)9-12-8(5-10-2)6-14-9/h3-4,6,10H,5H2,1-2H3
InChIKeyFKVOZHBFGSTTLO-UHFFFAOYSA-N
XLogP1.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[4-(2-methylimidazol-1-yl)-2-pyridinyl]methanamine
CID 62292766
(1R)-1-[4-(2-methylimidazol-1-yl)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 97009303
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565
2-(2-methylimidazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-3-amine
CID 60942995
2-methyl-N-[[5-(2-methylimidazol-1-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 80623364
1-[2-(4-chloropyrazol-1-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 130637258
3-methyl-5-(2-methylimidazol-1-yl)-1,2,4-thiadiazole
CID 65273237
1-[1,3-dimethyl-5-(2-methylimidazol-1-yl)pyrazol-4-yl]-N-methylmethanamine
CID 43282174
2-(2-ethylimidazol-1-yl)-4-methyl-1,3-thiazole
CID 63811039
3-(2-methylimidazol-1-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 118779507
1-[2-(fluoromethyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 84764244

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylimidazol-1-yl)-1,3-thiazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(2-methylimidazol-1-yl)-1,3-thiazol-4-yl]methanamine (CID 130632485) is N-methyl-1-[2-(2-methylimidazol-1-yl)-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2-methylimidazol-1-yl)-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2-methylimidazol-1-yl)-1,3-thiazol-4-yl]methanamine is CNCc1csc(-n2ccnc2C)n1.
What is the InChIKey of N-methyl-1-[2-(2-methylimidazol-1-yl)-1,3-thiazol-4-yl]methanamine?
The InChIKey is FKVOZHBFGSTTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-7-11-3-4-13(7)9-12-8(5-10-2)6-14-9/h3-4,6,10H,5H2,1-2H3.
What are the key properties of N-methyl-1-[2-(2-methylimidazol-1-yl)-1,3-thiazol-4-yl]methanamine?
N-methyl-1-[2-(2-methylimidazol-1-yl)-1,3-thiazol-4-yl]methanamine has a molecular weight of 208.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methylimidazol-1-yl)-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 130632485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).