(2R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C15H15N3OS2 — CID 99936470

IUPAC(2R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1=CSC2=NCCN12)[C@H]1Cc2ccccc2S1
InChIInChI=1S/C15H15N3OS2/c19-14(13-7-10-3-1-2-4-12(10)21-13)17-8-11-9-20-15-16-5-6-18(11)15/h1-4,9,13H,5-8H2,(H,17,19)/t13-/m1/s1
InChIKeyOEQRDHBDAUVQJG-CYBMUJFWSA-N
MW317.44 g/mol
LogP2.08
Rot. Bonds3

About (2R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

(2R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 99936470) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is (2R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID99936470
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC Name(2R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCC1=CSC2=NCCN12)[C@H]1Cc2ccccc2S1
InChIInChI=1S/C15H15N3OS2/c19-14(13-7-10-3-1-2-4-12(10)21-13)17-8-11-9-20-15-16-5-6-18(11)15/h1-4,9,13H,5-8H2,(H,17,19)/t13-/m1/s1
InChIKeyOEQRDHBDAUVQJG-CYBMUJFWSA-N
XLogP2.08
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 17454302
N-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51311123
(2R)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 40804538
(3S)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 98303481
(3R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 98276888
N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119383954
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51313177
(2S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 99953268
N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 121497108
N-(furan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18134735
N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931099
N-(1H-pyrazol-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 60735809

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of (2R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 99936470) is (2R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for (2R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for (2R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is O=C(NCC1=CSC2=NCCN12)[C@H]1Cc2ccccc2S1.
What is the InChIKey of (2R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is OEQRDHBDAUVQJG-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15N3OS2/c19-14(13-7-10-3-1-2-4-12(10)21-13)17-8-11-9-20-15-16-5-6-18(11)15/h1-4,9,13H,5-8H2,(H,17,19)/t13-/m1/s1.
What are the key properties of (2R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
(2R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 99936470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).