5-chloro-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-2-amine

C14H12ClN3S — CID 43524200

IUPAC5-chloro-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-2-amine
SMILESCC(Nc1nc2cc(Cl)ccc2s1)c1ccncc1
InChIInChI=1S/C14H12ClN3S/c1-9(10-4-6-16-7-5-10)17-14-18-12-8-11(15)2-3-13(12)19-14/h2-9H,1H3,(H,17,18)
InChIKeyGZFYXBAKKYJKAY-UHFFFAOYSA-N
MW289.79 g/mol
LogP4.52
Rot. Bonds3

About 5-chloro-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-2-amine

5-chloro-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-2-amine (PubChem CID 43524200) has the molecular formula C14H12ClN3S and a molecular weight of 289.79 g/mol. Its IUPAC name is 5-chloro-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-2-amine
PubChem CID43524200
Molecular FormulaC14H12ClN3S
Molecular Weight289.79 g/mol
Exact Mass289.04
IUPAC Name5-chloro-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-2-amine
SMILESCC(Nc1nc2cc(Cl)ccc2s1)c1ccncc1
InChIInChI=1S/C14H12ClN3S/c1-9(10-4-6-16-7-5-10)17-14-18-12-8-11(15)2-3-13(12)19-14/h2-9H,1H3,(H,17,18)
InChIKeyGZFYXBAKKYJKAY-UHFFFAOYSA-N
XLogP4.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.79
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 43306407
6-chloro-N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 79525971
N-[1-(4-bromophenyl)ethyl]-6-chloro-1,3-benzothiazol-2-amine
CID 79524862
N-[1-(4-chlorophenyl)ethyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142758
5-chloro-6-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 42645370
N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine
CID 28533165
5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906846
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine
CID 66241808
ethyl 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]propanoate
CID 54960138
2,4-dichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43192035
4-chloro-2-(1-pyridin-4-ylethylamino)-1,3-thiazole-5-carbonitrile
CID 106595169
5-chloro-N-octan-4-yl-1,3-benzothiazol-2-amine
CID 106027403

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-2-amine (CID 43524200) is 5-chloro-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-2-amine is CC(Nc1nc2cc(Cl)ccc2s1)c1ccncc1.
What is the InChIKey of 5-chloro-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-2-amine?
The InChIKey is GZFYXBAKKYJKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3S/c1-9(10-4-6-16-7-5-10)17-14-18-12-8-11(15)2-3-13(12)19-14/h2-9H,1H3,(H,17,18).
What are the key properties of 5-chloro-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-2-amine?
5-chloro-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-2-amine has a molecular weight of 289.79 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-pyridin-4-ylethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43524200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).