N-[[1-(1,2-thiazol-5-ylmethyl)azetidin-2-yl]methyl]-1-benzothiophene-3-carboxamide

C17H17N3OS2 — CID 154794127

IUPACN-[[1-(1,2-thiazol-5-ylmethyl)azetidin-2-yl]methyl]-1-benzothiophene-3-carboxamide
SMILESO=C(NCC1CCN1Cc1ccns1)c1csc2ccccc12
InChIInChI=1S/C17H17N3OS2/c21-17(15-11-22-16-4-2-1-3-14(15)16)18-9-12-6-8-20(12)10-13-5-7-19-23-13/h1-5,7,11-12H,6,8-10H2,(H,18,21)
InChIKeyVCNGQPPQQBZFHJ-UHFFFAOYSA-N
MW343.48 g/mol
LogP3.36
Rot. Bonds5

About N-[[1-(1,2-thiazol-5-ylmethyl)azetidin-2-yl]methyl]-1-benzothiophene-3-carboxamide

N-[[1-(1,2-thiazol-5-ylmethyl)azetidin-2-yl]methyl]-1-benzothiophene-3-carboxamide (PubChem CID 154794127) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is N-[[1-(1,2-thiazol-5-ylmethyl)azetidin-2-yl]methyl]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(1,2-thiazol-5-ylmethyl)azetidin-2-yl]methyl]-1-benzothiophene-3-carboxamide
PubChem CID154794127
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC NameN-[[1-(1,2-thiazol-5-ylmethyl)azetidin-2-yl]methyl]-1-benzothiophene-3-carboxamide
SMILESO=C(NCC1CCN1Cc1ccns1)c1csc2ccccc12
InChIInChI=1S/C17H17N3OS2/c21-17(15-11-22-16-4-2-1-3-14(15)16)18-9-12-6-8-20(12)10-13-5-7-19-23-13/h1-5,7,11-12H,6,8-10H2,(H,18,21)
InChIKeyVCNGQPPQQBZFHJ-UHFFFAOYSA-N
XLogP3.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3-hydroxypropyl)pyrrolidin-2-yl]methyl]-1-benzothiophene-3-carboxamide
CID 122151809
N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-1-benzothiophene-3-carboxamide
CID 124885406
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-1-benzothiophene-3-carboxamide
CID 122152007
N-(pyridin-2-ylmethyl)-1-benzothiophene-3-carboxamide
CID 1247032
N-[(3S)-pyrrolidin-3-yl]-1-benzothiophene-3-carboxamide
CID 79688085
N-(1-methylpiperidin-4-yl)-1-benzothiophene-3-carboxamide
CID 25236399
1-benzothiophen-3-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636244
N-piperidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride
CID 119426966
N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide
CID 83030979
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzothiophene-3-carboxamide
CID 115271314
N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-1-benzothiophene-3-carboxamide
CID 24871627
N-[1-(hydroxymethyl)cyclopropyl]-1-benzothiophene-3-carboxamide
CID 115877819

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,2-thiazol-5-ylmethyl)azetidin-2-yl]methyl]-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[[1-(1,2-thiazol-5-ylmethyl)azetidin-2-yl]methyl]-1-benzothiophene-3-carboxamide (CID 154794127) is N-[[1-(1,2-thiazol-5-ylmethyl)azetidin-2-yl]methyl]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[[1-(1,2-thiazol-5-ylmethyl)azetidin-2-yl]methyl]-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[[1-(1,2-thiazol-5-ylmethyl)azetidin-2-yl]methyl]-1-benzothiophene-3-carboxamide is O=C(NCC1CCN1Cc1ccns1)c1csc2ccccc12.
What is the InChIKey of N-[[1-(1,2-thiazol-5-ylmethyl)azetidin-2-yl]methyl]-1-benzothiophene-3-carboxamide?
The InChIKey is VCNGQPPQQBZFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c21-17(15-11-22-16-4-2-1-3-14(15)16)18-9-12-6-8-20(12)10-13-5-7-19-23-13/h1-5,7,11-12H,6,8-10H2,(H,18,21).
What are the key properties of N-[[1-(1,2-thiazol-5-ylmethyl)azetidin-2-yl]methyl]-1-benzothiophene-3-carboxamide?
N-[[1-(1,2-thiazol-5-ylmethyl)azetidin-2-yl]methyl]-1-benzothiophene-3-carboxamide has a molecular weight of 343.48 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,2-thiazol-5-ylmethyl)azetidin-2-yl]methyl]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 154794127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).