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

C11H12BrN3S — CID 124680389

IUPAC5-bromo-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyridin-3-amine
SMILESC[C@H](CNc1cncc(Br)c1)c1nccs1
InChIInChI=1S/C11H12BrN3S/c1-8(11-14-2-3-16-11)5-15-10-4-9(12)6-13-7-10/h2-4,6-8,15H,5H2,1H3/t8-/m1/s1
InChIKeyYKEFKVPSSQZUKS-MRVPVSSYSA-N
MW298.21 g/mol
LogP3.52
Rot. Bonds4

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

5-bromo-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyridin-3-amine (PubChem CID 124680389) has the molecular formula C11H12BrN3S and a molecular weight of 298.21 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyridin-3-amine
PubChem CID124680389
Molecular FormulaC11H12BrN3S
Molecular Weight298.21 g/mol
Exact Mass296.99
IUPAC Name5-bromo-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyridin-3-amine
SMILESC[C@H](CNc1cncc(Br)c1)c1nccs1
InChIInChI=1S/C11H12BrN3S/c1-8(11-14-2-3-16-11)5-15-10-4-9(12)6-13-7-10/h2-4,6-8,15H,5H2,1H3/t8-/m1/s1
InChIKeyYKEFKVPSSQZUKS-MRVPVSSYSA-N
XLogP3.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-3-amine
CID 104577285
N-[2-(1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
CID 104577139
3-[(5-bromo-3-pyridinyl)amino]-2-methylpropan-1-ol
CID 115657175
3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-4-amine
CID 104577268
1-[(5-bromo-3-pyridinyl)amino]-4-methylpentan-2-ol
CID 103702829
2-(1-bromopropan-2-yl)-1,3-thiazole
CID 66470662
4-[2-(1,3-thiazol-2-yl)propylamino]-2-(trifluoromethyl)benzonitrile
CID 104577255
3-bromo-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428974
4-fluoro-1-N-[2-(1,3-thiazol-2-yl)propyl]benzene-1,2-diamine
CID 114127004
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
1-[(5-bromo-3-pyridinyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 113250573
3-bromo-5-chloro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 104578827

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyridin-3-amine (CID 124680389) is 5-bromo-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyridin-3-amine is C[C@H](CNc1cncc(Br)c1)c1nccs1.
What is the InChIKey of 5-bromo-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyridin-3-amine?
The InChIKey is YKEFKVPSSQZUKS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12BrN3S/c1-8(11-14-2-3-16-11)5-15-10-4-9(12)6-13-7-10/h2-4,6-8,15H,5H2,1H3/t8-/m1/s1.
What are the key properties of 5-bromo-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyridin-3-amine?
5-bromo-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyridin-3-amine has a molecular weight of 298.21 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]pyridin-3-amine is sourced from PubChem (CID 124680389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).