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

C10H9BrClN3S — CID 114835766

IUPAC3-bromo-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
SMILESCc1ncc(CNc2ncc(Cl)cc2Br)s1
InChIInChI=1S/C10H9BrClN3S/c1-6-13-4-8(16-6)5-15-10-9(11)2-7(12)3-14-10/h2-4H,5H2,1H3,(H,14,15)
InChIKeyUFVNVAQBOSWQEY-UHFFFAOYSA-N
MW318.63 g/mol
LogP3.87
Rot. Bonds3

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

3-bromo-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine (PubChem CID 114835766) has the molecular formula C10H9BrClN3S and a molecular weight of 318.63 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
PubChem CID114835766
Molecular FormulaC10H9BrClN3S
Molecular Weight318.63 g/mol
Exact Mass316.94
IUPAC Name3-bromo-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
SMILESCc1ncc(CNc2ncc(Cl)cc2Br)s1
InChIInChI=1S/C10H9BrClN3S/c1-6-13-4-8(16-6)5-15-10-9(11)2-7(12)3-14-10/h2-4H,5H2,1H3,(H,14,15)
InChIKeyUFVNVAQBOSWQEY-UHFFFAOYSA-N
XLogP3.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.63
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-amine
CID 114835829
4-bromo-3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 103823395
3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594
2,5-dichloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 79632909
3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941535
5-chloro-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941064
5-bromo-2-N-ethyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 80807441
5-methyl-3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine
CID 112647291
3-bromo-2-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-2,5-diamine
CID 79534922
3-bromo-5-chloro-N-[(3-ethylthiophen-2-yl)methyl]pyridin-2-amine
CID 114836004
3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 114838460
N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
CID 114835533

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine (CID 114835766) is 3-bromo-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine is Cc1ncc(CNc2ncc(Cl)cc2Br)s1.
What is the InChIKey of 3-bromo-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine?
The InChIKey is UFVNVAQBOSWQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3S/c1-6-13-4-8(16-6)5-15-10-9(11)2-7(12)3-14-10/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 3-bromo-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine?
3-bromo-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine has a molecular weight of 318.63 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 114835766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).