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

C13H16BrN3S — CID 133346198

IUPAC5-bromo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine
SMILESCC(C)c1nc(C(C)Nc2ccc(Br)cn2)cs1
InChIInChI=1S/C13H16BrN3S/c1-8(2)13-17-11(7-18-13)9(3)16-12-5-4-10(14)6-15-12/h4-9H,1-3H3,(H,15,16)
InChIKeyATIWERICRPTCHI-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.60
Rot. Bonds4

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

5-bromo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine (PubChem CID 133346198) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is 5-bromo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine
PubChem CID133346198
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC Name5-bromo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine
SMILESCC(C)c1nc(C(C)Nc2ccc(Br)cn2)cs1
InChIInChI=1S/C13H16BrN3S/c1-8(2)13-17-11(7-18-13)9(3)16-12-5-4-10(14)6-15-12/h4-9H,1-3H3,(H,15,16)
InChIKeyATIWERICRPTCHI-UHFFFAOYSA-N
XLogP4.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-nitro-N-[(1S)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 97317778
6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 133346231
5-bromo-N-(1-pyridin-3-ylethyl)pyridin-2-amine
CID 43523794
3-propan-2-yl-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 133346270
2-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66374394
N-[(1R)-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 97018968
5-bromo-N-pentan-3-ylpyridin-2-amine
CID 28553670
3,5-difluoro-4-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]benzonitrile
CID 133346194
5-bromo-N-(3-ethylpentan-2-yl)pyridin-2-amine
CID 63837105
5-bromo-N-(3-methylpentan-2-yl)pyridin-2-amine
CID 61463582
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrazin-2-amine
CID 133346267
N-(5-bromo-2-pyridinyl)-2-propan-2-ylpyrimidin-4-amine
CID 139594069

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine (CID 133346198) is 5-bromo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine is CC(C)c1nc(C(C)Nc2ccc(Br)cn2)cs1.
What is the InChIKey of 5-bromo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
The InChIKey is ATIWERICRPTCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3S/c1-8(2)13-17-11(7-18-13)9(3)16-12-5-4-10(14)6-15-12/h4-9H,1-3H3,(H,15,16).
What are the key properties of 5-bromo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine?
5-bromo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine has a molecular weight of 326.26 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 133346198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).