3-(5-fluoro-1,3-benzothiazol-2-yl)propan-1-amine

C10H11FN2S — CID 43305639

IUPAC3-(5-fluoro-1,3-benzothiazol-2-yl)propan-1-amine
SMILESNCCCc1nc2cc(F)ccc2s1
InChIInChI=1S/C10H11FN2S/c11-7-3-4-9-8(6-7)13-10(14-9)2-1-5-12/h3-4,6H,1-2,5,12H2
InChIKeyUCEATBNFGQPPAF-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.33
Rot. Bonds3

About 3-(5-fluoro-1,3-benzothiazol-2-yl)propan-1-amine

3-(5-fluoro-1,3-benzothiazol-2-yl)propan-1-amine (PubChem CID 43305639) has the molecular formula C10H11FN2S and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(5-fluoro-1,3-benzothiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-1,3-benzothiazol-2-yl)propan-1-amine
PubChem CID43305639
Molecular FormulaC10H11FN2S
Molecular Weight210.28 g/mol
Exact Mass210.06
IUPAC Name3-(5-fluoro-1,3-benzothiazol-2-yl)propan-1-amine
SMILESNCCCc1nc2cc(F)ccc2s1
InChIInChI=1S/C10H11FN2S/c11-7-3-4-9-8(6-7)13-10(14-9)2-1-5-12/h3-4,6H,1-2,5,12H2
InChIKeyUCEATBNFGQPPAF-UHFFFAOYSA-N
XLogP2.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-fluoro-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106695
4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methylbutan-1-amine
CID 82688216
2-(3-aminopropyl)-1,3-benzothiazol-6-ol
CID 39106581
4-chloro-N-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]aniline
CID 60836038
3-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]aniline
CID 65345782
4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]phenol
CID 43306339
3-(6-bromo-5-methyl-1,3-benzothiazol-2-yl)propan-1-amine
CID 39107334
2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanamine;hydrochloride
CID 155821832
3-(6-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106663
3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106904
2-butyl-5-iodo-1,3-benzothiazole
CID 166963471
3-[2-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]hexan-1-amine
CID 79148771

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1,3-benzothiazol-2-yl)propan-1-amine?
The IUPAC name of 3-(5-fluoro-1,3-benzothiazol-2-yl)propan-1-amine (CID 43305639) is 3-(5-fluoro-1,3-benzothiazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5-fluoro-1,3-benzothiazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(5-fluoro-1,3-benzothiazol-2-yl)propan-1-amine is NCCCc1nc2cc(F)ccc2s1.
What is the InChIKey of 3-(5-fluoro-1,3-benzothiazol-2-yl)propan-1-amine?
The InChIKey is UCEATBNFGQPPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2S/c11-7-3-4-9-8(6-7)13-10(14-9)2-1-5-12/h3-4,6H,1-2,5,12H2.
What are the key properties of 3-(5-fluoro-1,3-benzothiazol-2-yl)propan-1-amine?
3-(5-fluoro-1,3-benzothiazol-2-yl)propan-1-amine has a molecular weight of 210.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1,3-benzothiazol-2-yl)propan-1-amine is sourced from PubChem (CID 43305639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).