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

C11H12BrN3S — CID 115773935

IUPAC5-bromo-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
SMILESCc1nc(CNc2cc(C)c(Br)cn2)cs1
InChIInChI=1S/C11H12BrN3S/c1-7-3-11(14-5-10(7)12)13-4-9-6-16-8(2)15-9/h3,5-6H,4H2,1-2H3,(H,13,14)
InChIKeyXGYPURFAGNYIQV-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.53
Rot. Bonds3

About 5-bromo-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine

5-bromo-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine (PubChem CID 115773935) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
PubChem CID115773935
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name5-bromo-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
SMILESCc1nc(CNc2cc(C)c(Br)cn2)cs1
InChIInChI=1S/C11H12BrN3S/c1-7-3-11(14-5-10(7)12)13-4-9-6-16-8(2)15-9/h3,5-6H,4H2,1-2H3,(H,13,14)
InChIKeyXGYPURFAGNYIQV-UHFFFAOYSA-N
XLogP3.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 61283435
6-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80808044
N-(5-bromo-4-methyl-2-pyridinyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 79729954
5-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 115735816
N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinoxalin-2-amine
CID 47292925
3,5-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780943
5-bromo-N-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-amine
CID 115147105
5-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796050
6-N,2-diethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80935385
5-bromo-N-[(3,4-difluorophenyl)methyl]-4-methylpyridin-2-amine
CID 115773984
5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methylpyridin-2-amine
CID 83335226
5-bromo-4-methyl-N-(2-methylidenebutyl)pyridin-2-amine
CID 130655433

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine (CID 115773935) is 5-bromo-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine is Cc1nc(CNc2cc(C)c(Br)cn2)cs1.
What is the InChIKey of 5-bromo-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
The InChIKey is XGYPURFAGNYIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-7-3-11(14-5-10(7)12)13-4-9-6-16-8(2)15-9/h3,5-6H,4H2,1-2H3,(H,13,14).
What are the key properties of 5-bromo-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine?
5-bromo-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine has a molecular weight of 298.21 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 115773935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).