N-[1-benzothiophen-3-yl(1,3-thiazol-2-yl)methyl]cyclopropanamine

C15H14N2S2 — CID 62700187

IUPACN-[1-benzothiophen-3-yl(1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESc1ccc2c(C(NC3CC3)c3nccs3)csc2c1
InChIInChI=1S/C15H14N2S2/c1-2-4-13-11(3-1)12(9-19-13)14(17-10-5-6-10)15-16-7-8-18-15/h1-4,7-10,14,17H,5-6H2
InChIKeyDEINCIMLIHLXIU-UHFFFAOYSA-N
MW286.43 g/mol
LogP4.20
Rot. Bonds4

About N-[1-benzothiophen-3-yl(1,3-thiazol-2-yl)methyl]cyclopropanamine

N-[1-benzothiophen-3-yl(1,3-thiazol-2-yl)methyl]cyclopropanamine (PubChem CID 62700187) has the molecular formula C15H14N2S2 and a molecular weight of 286.43 g/mol. Its IUPAC name is N-[1-benzothiophen-3-yl(1,3-thiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-benzothiophen-3-yl(1,3-thiazol-2-yl)methyl]cyclopropanamine
PubChem CID62700187
Molecular FormulaC15H14N2S2
Molecular Weight286.43 g/mol
Exact Mass286.06
IUPAC NameN-[1-benzothiophen-3-yl(1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESc1ccc2c(C(NC3CC3)c3nccs3)csc2c1
InChIInChI=1S/C15H14N2S2/c1-2-4-13-11(3-1)12(9-19-13)14(17-10-5-6-10)15-16-7-8-18-15/h1-4,7-10,14,17H,5-6H2
InChIKeyDEINCIMLIHLXIU-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 79982575
N-[(5-bromoquinolin-8-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 115959886
N-[(3-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 115380884
N-[(2,5-dimethylthiophen-3-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 54977283
N-[(2-bromo-5-chlorophenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 66156470
N-[(3-methylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 61335045
N-[(3-cyclopropylphenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 79981023
N-[(3-bromo-4-chlorophenyl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 83230978
1-(1-benzothiophen-3-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823876
N-[[5-(1-benzothiophen-3-yl)-1H-imidazol-2-yl]methyl]cyclopropanamine
CID 116877405
N-[(4-methyl-1,3-thiazol-2-yl)-naphthalen-1-ylmethyl]cyclopropanamine
CID 61333875
(S)-1-benzothiophen-3-yl(cyclopentyl)methanamine
CID 93025479

Frequently Asked Questions

What is the IUPAC name of N-[1-benzothiophen-3-yl(1,3-thiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[1-benzothiophen-3-yl(1,3-thiazol-2-yl)methyl]cyclopropanamine (CID 62700187) is N-[1-benzothiophen-3-yl(1,3-thiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[1-benzothiophen-3-yl(1,3-thiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[1-benzothiophen-3-yl(1,3-thiazol-2-yl)methyl]cyclopropanamine is c1ccc2c(C(NC3CC3)c3nccs3)csc2c1.
What is the InChIKey of N-[1-benzothiophen-3-yl(1,3-thiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is DEINCIMLIHLXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S2/c1-2-4-13-11(3-1)12(9-19-13)14(17-10-5-6-10)15-16-7-8-18-15/h1-4,7-10,14,17H,5-6H2.
What are the key properties of N-[1-benzothiophen-3-yl(1,3-thiazol-2-yl)methyl]cyclopropanamine?
N-[1-benzothiophen-3-yl(1,3-thiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 286.43 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzothiophen-3-yl(1,3-thiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 62700187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).