N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-2-amine

C11H12BrN3S — CID 115917033

IUPACN-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-2-amine
SMILESCc1cccc(NC(C)c2ncc(Br)s2)n1
InChIInChI=1S/C11H12BrN3S/c1-7-4-3-5-10(14-7)15-8(2)11-13-6-9(12)16-11/h3-6,8H,1-2H3,(H,14,15)
InChIKeyNIRWKSWOCYHSFH-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.78
Rot. Bonds3

About N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-2-amine

N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-2-amine (PubChem CID 115917033) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-2-amine
PubChem CID115917033
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC NameN-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-2-amine
SMILESCc1cccc(NC(C)c2ncc(Br)s2)n1
InChIInChI=1S/C11H12BrN3S/c1-7-4-3-5-10(14-7)15-8(2)11-13-6-9(12)16-11/h3-6,8H,1-2H3,(H,14,15)
InChIKeyNIRWKSWOCYHSFH-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Pyridin-2-yl)-1,3-thiazol-2-amine
CID 1092459
Thiourea, N-(2-(2-pyridinyl)ethyl)-N'-2-thiazolyl-
CID 3001095
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556143
N-(6-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329394
5-bromo-N-(pyridin-2-yl)thiazol-2-amine
CID 5329400
2-(Pyridin-2-ylamino)-thiazole-5-carbonitrile
CID 5329402
5-methyl-N-[4-(2-thienyl)-1,3-thiazol-2-yl]-2-pyridinamine
CID 972421
Thiazolo(5,4-b)pyridin-2-amine, N-ethyl-
CID 2747540
2-Amino-5-thio-substituted thiazole 61
CID 5329697
N-(5-methyl-1,3-thiazol-2-yl)pyridin-2-amine
CID 4561389
(4-Methyl-pyridin-2-yl)-(4-phenyl-thiazol-2-yl)-amine
CID 2877172
Pyridin-2-yl-(4-thiophen-2-yl-thiazol-2-yl)-amine
CID 649291

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-2-amine?
The IUPAC name of N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-2-amine (CID 115917033) is N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-2-amine.
What is the SMILES notation for N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-2-amine?
The canonical SMILES for N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-2-amine is Cc1cccc(NC(C)c2ncc(Br)s2)n1.
What is the InChIKey of N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-2-amine?
The InChIKey is NIRWKSWOCYHSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-7-4-3-5-10(14-7)15-8(2)11-13-6-9(12)16-11/h3-6,8H,1-2H3,(H,14,15).
What are the key properties of N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-2-amine?
N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-2-amine has a molecular weight of 298.21 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-1,3-thiazol-2-yl)ethyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 115917033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).