(E)-3-(2-cyclopropyl-1,3-benzothiazol-5-yl)prop-2-en-1-amine

C13H14N2S — CID 117332982

IUPAC(E)-3-(2-cyclopropyl-1,3-benzothiazol-5-yl)prop-2-en-1-amine
SMILESNC/C=C/c1ccc2sc(C3CC3)nc2c1
InChIInChI=1S/C13H14N2S/c14-7-1-2-9-3-6-12-11(8-9)15-13(16-12)10-4-5-10/h1-3,6,8,10H,4-5,7,14H2/b2-1+
InChIKeyHPJWYTFTULQDRX-OWOJBTEDSA-N
MW230.34 g/mol
LogP3.15
Rot. Bonds3

About (E)-3-(2-cyclopropyl-1,3-benzothiazol-5-yl)prop-2-en-1-amine

(E)-3-(2-cyclopropyl-1,3-benzothiazol-5-yl)prop-2-en-1-amine (PubChem CID 117332982) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is (E)-3-(2-cyclopropyl-1,3-benzothiazol-5-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(2-cyclopropyl-1,3-benzothiazol-5-yl)prop-2-en-1-amine
PubChem CID117332982
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name(E)-3-(2-cyclopropyl-1,3-benzothiazol-5-yl)prop-2-en-1-amine
SMILESNC/C=C/c1ccc2sc(C3CC3)nc2c1
InChIInChI=1S/C13H14N2S/c14-7-1-2-9-3-6-12-11(8-9)15-13(16-12)10-4-5-10/h1-3,6,8,10H,4-5,7,14H2/b2-1+
InChIKeyHPJWYTFTULQDRX-OWOJBTEDSA-N
XLogP3.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-cyclopropyl-1,3-benzothiazol-5-yl)propan-1-amine
CID 84696103
[4-(6-fluoro-1,3-benzothiazol-2-yl)cyclohexyl]methanamine
CID 79525945
2-cyclopropyl-5-piperidin-4-yl-1,3-benzothiazole
CID 117399909
3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
CID 66030593
5-[(E)-2-cyclopropylethenyl]-2-methyl-1,3-benzothiazole
CID 102481837
4-(2-cyclopropyl-1,3-benzothiazol-5-yl)-1,2-oxazol-5-amine
CID 117396578
1-(2-cyclobutyl-1,3-benzothiazol-5-yl)-N-methylmethanamine
CID 84696106
2-(aminomethyl)-1,3-benzothiazole-5-carbaldehyde
CID 82402688
2-[2-[[5-(3-aminoprop-1-enyl)-1,3-benzothiazol-2-yl]methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid
CID 135338891
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 120797425
2-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-1,3-benzothiazole
CID 70116443
2-cyclopropyl-6-ethenyl-[1,3]thiazolo[4,5-b]pyridine
CID 138718793

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-cyclopropyl-1,3-benzothiazol-5-yl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(2-cyclopropyl-1,3-benzothiazol-5-yl)prop-2-en-1-amine (CID 117332982) is (E)-3-(2-cyclopropyl-1,3-benzothiazol-5-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(2-cyclopropyl-1,3-benzothiazol-5-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(2-cyclopropyl-1,3-benzothiazol-5-yl)prop-2-en-1-amine is NC/C=C/c1ccc2sc(C3CC3)nc2c1.
What is the InChIKey of (E)-3-(2-cyclopropyl-1,3-benzothiazol-5-yl)prop-2-en-1-amine?
The InChIKey is HPJWYTFTULQDRX-OWOJBTEDSA-N. The full InChI is InChI=1S/C13H14N2S/c14-7-1-2-9-3-6-12-11(8-9)15-13(16-12)10-4-5-10/h1-3,6,8,10H,4-5,7,14H2/b2-1+.
What are the key properties of (E)-3-(2-cyclopropyl-1,3-benzothiazol-5-yl)prop-2-en-1-amine?
(E)-3-(2-cyclopropyl-1,3-benzothiazol-5-yl)prop-2-en-1-amine has a molecular weight of 230.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-cyclopropyl-1,3-benzothiazol-5-yl)prop-2-en-1-amine is sourced from PubChem (CID 117332982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).