3-bromo-N-[1-(thiadiazol-4-yl)ethyl]pyridin-2-amine

C9H9BrN4S — CID 131057699

IUPAC3-bromo-N-[1-(thiadiazol-4-yl)ethyl]pyridin-2-amine
SMILESCC(Nc1ncccc1Br)c1csnn1
InChIInChI=1S/C9H9BrN4S/c1-6(8-5-15-14-13-8)12-9-7(10)3-2-4-11-9/h2-6H,1H3,(H,11,12)
InChIKeyUUURGHDNQBWKIY-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.87
Rot. Bonds3

About 3-bromo-N-[1-(thiadiazol-4-yl)ethyl]pyridin-2-amine

3-bromo-N-[1-(thiadiazol-4-yl)ethyl]pyridin-2-amine (PubChem CID 131057699) has the molecular formula C9H9BrN4S and a molecular weight of 285.17 g/mol. Its IUPAC name is 3-bromo-N-[1-(thiadiazol-4-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[1-(thiadiazol-4-yl)ethyl]pyridin-2-amine
PubChem CID131057699
Molecular FormulaC9H9BrN4S
Molecular Weight285.17 g/mol
Exact Mass283.97
IUPAC Name3-bromo-N-[1-(thiadiazol-4-yl)ethyl]pyridin-2-amine
SMILESCC(Nc1ncccc1Br)c1csnn1
InChIInChI=1S/C9H9BrN4S/c1-6(8-5-15-14-13-8)12-9-7(10)3-2-4-11-9/h2-6H,1H3,(H,11,12)
InChIKeyUUURGHDNQBWKIY-UHFFFAOYSA-N
XLogP2.87
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-(1-thiophen-3-ylethyl)pyridin-2-amine
CID 62840685
3-bromo-N-butan-2-ylpyridin-2-amine
CID 61374838
3-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine
CID 61374280
2-chloro-N-[1-(thiadiazol-4-yl)ethyl]pyrimidin-4-amine
CID 130987200
(3R)-3-[(3-bromo-2-pyridinyl)amino]butan-1-ol
CID 131182775
2-[1-(2-bromophenyl)ethylamino]pyridine-3-carbonitrile
CID 42927800
3-[(3-bromo-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 106350440
3-bromo-N-(2-chloro-1-phenylethyl)pyridin-2-amine
CID 65029432
3-bromo-N-(2,3-dimethylbutyl)pyridin-2-amine
CID 64599178
3-bromo-2-N-(1-pyridin-2-ylethyl)pyridine-2,5-diamine
CID 79531784
2-bromo-N-(3-bromo-2-pyridinyl)propanamide
CID 107905388
2-[(3-bromo-2-pyridinyl)amino]hexanoic acid
CID 122060294

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(thiadiazol-4-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3-bromo-N-[1-(thiadiazol-4-yl)ethyl]pyridin-2-amine (CID 131057699) is 3-bromo-N-[1-(thiadiazol-4-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[1-(thiadiazol-4-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-N-[1-(thiadiazol-4-yl)ethyl]pyridin-2-amine is CC(Nc1ncccc1Br)c1csnn1.
What is the InChIKey of 3-bromo-N-[1-(thiadiazol-4-yl)ethyl]pyridin-2-amine?
The InChIKey is UUURGHDNQBWKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4S/c1-6(8-5-15-14-13-8)12-9-7(10)3-2-4-11-9/h2-6H,1H3,(H,11,12).
What are the key properties of 3-bromo-N-[1-(thiadiazol-4-yl)ethyl]pyridin-2-amine?
3-bromo-N-[1-(thiadiazol-4-yl)ethyl]pyridin-2-amine has a molecular weight of 285.17 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(thiadiazol-4-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 131057699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).