(5R)-5-(bromomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C9H10BrN3S — CID 667991

IUPAC(5R)-5-(bromomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESBrC[C@H]1CN=C(Nc2ccccn2)S1
InChIInChI=1S/C9H10BrN3S/c10-5-7-6-12-9(14-7)13-8-3-1-2-4-11-8/h1-4,7H,5-6H2,(H,11,12,13)/t7-/m0/s1
InChIKeyYHAYWMLDGALZBJ-ZETCQYMHSA-N
MW272.17 g/mol
LogP2.36
Rot. Bonds2

About (5R)-5-(bromomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine

(5R)-5-(bromomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 667991) has the molecular formula C9H10BrN3S and a molecular weight of 272.17 g/mol. Its IUPAC name is (5R)-5-(bromomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(5R)-5-(bromomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID667991
Molecular FormulaC9H10BrN3S
Molecular Weight272.17 g/mol
Exact Mass270.98
IUPAC Name(5R)-5-(bromomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESBrC[C@H]1CN=C(Nc2ccccn2)S1
InChIInChI=1S/C9H10BrN3S/c10-5-7-6-12-9(14-7)13-8-3-1-2-4-11-8/h1-4,7H,5-6H2,(H,11,12,13)/t7-/m0/s1
InChIKeyYHAYWMLDGALZBJ-ZETCQYMHSA-N
XLogP2.36
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 4131188
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
N'-[(5S)-5-(bromomethyl)-4,5-dihydro-1,3-thiazol-2-yl]ethane-1,2-diamine
CID 26974724
1-N,4-N-dipyridin-2-ylbenzene-1,4-diamine
CID 139175237
3-fluoro-N-(3-hydroxy-2,2-diphenylpropyl)-4-[[2-(pyridin-2-ylamino)-4,5-dihydro-1,3-thiazol-5-yl]sulfanyl]pyridine-2-carboxamide
CID 89259700
5-ethyl-N-[2-(2-methoxyethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 102906858
ethane;1-methyl-2-pyridin-2-ylhydrazine
CID 144520197
N-pyridin-1-ium-2-ylpyridin-2-amine
CID 3633996
N-(3-ethoxyphenyl)-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 113492430
N-[1-(bromomethyl)tetrazol-5-yl]pyridin-2-amine
CID 141319494
ethane;5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 91452477
1-bromo-N-pyridin-2-ylmethanesulfonamide
CID 83085049

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(bromomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (5R)-5-(bromomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 667991) is (5R)-5-(bromomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (5R)-5-(bromomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (5R)-5-(bromomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine is BrC[C@H]1CN=C(Nc2ccccn2)S1.
What is the InChIKey of (5R)-5-(bromomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is YHAYWMLDGALZBJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10BrN3S/c10-5-7-6-12-9(14-7)13-8-3-1-2-4-11-8/h1-4,7H,5-6H2,(H,11,12,13)/t7-/m0/s1.
What are the key properties of (5R)-5-(bromomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
(5R)-5-(bromomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 272.17 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(bromomethyl)-N-pyridin-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 667991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).