3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine

C11H12BrN3S — CID 55207392

IUPAC3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
SMILESCc1nc(CN(C)c2ncccc2Br)cs1
InChIInChI=1S/C11H12BrN3S/c1-8-14-9(7-16-8)6-15(2)11-10(12)4-3-5-13-11/h3-5,7H,6H2,1-2H3
InChIKeySZTGKSDTDXADEW-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.25
Rot. Bonds3

About 3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine

3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine (PubChem CID 55207392) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
PubChem CID55207392
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
SMILESCc1nc(CN(C)c2ncccc2Br)cs1
InChIInChI=1S/C11H12BrN3S/c1-8-14-9(7-16-8)6-15(2)11-10(12)4-3-5-13-11/h3-5,7H,6H2,1-2H3
InChIKeySZTGKSDTDXADEW-UHFFFAOYSA-N
XLogP3.25
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 107518848
4-N,5-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80811752
5-bromo-3-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 103580161
3-fluoro-N-methyl-4-(methylaminomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 105389303
5-(bromomethyl)-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 107082345
4-[[4-(3-bromo-2-pyridinyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 166600976
3-(bromomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-amine
CID 107082348
3-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 61373552
2-bromo-1-N,5-dimethyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,4-diamine
CID 114048222
2-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-amine
CID 103721834
4-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,5-diamine
CID 79916923
3-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(propylaminomethyl)pyridin-2-amine
CID 105389300

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine (CID 55207392) is 3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine is Cc1nc(CN(C)c2ncccc2Br)cs1.
What is the InChIKey of 3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
The InChIKey is SZTGKSDTDXADEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-8-14-9(7-16-8)6-15(2)11-10(12)4-3-5-13-11/h3-5,7H,6H2,1-2H3.
What are the key properties of 3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine has a molecular weight of 298.21 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 55207392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).