6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide

C15H17N3OS — CID 97442519

IUPAC6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
SMILESNC(=O)c1nc2c(s1)CCN(Cc1ccccc1)CC2
InChIInChI=1S/C15H17N3OS/c16-14(19)15-17-12-6-8-18(9-7-13(12)20-15)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,16,19)
InChIKeyGBVIDBXFULRYKG-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.84
Rot. Bonds3

About 6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide

6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide (PubChem CID 97442519) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide.

Molecular Properties

Compound Name6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
PubChem CID97442519
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
SMILESNC(=O)c1nc2c(s1)CCN(Cc1ccccc1)CC2
InChIInChI=1S/C15H17N3OS/c16-14(19)15-17-12-6-8-18(9-7-13(12)20-15)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,16,19)
InChIKeyGBVIDBXFULRYKG-UHFFFAOYSA-N
XLogP1.84
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)acetamide
CID 19985779
morpholin-4-yl-[6-(pyridin-4-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]methanone
CID 97389075
N-benzyl-6-[(3-methoxyphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 155875363
6-[2-(3-methoxyphenyl)acetyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97442513
6-[(3-methoxyphenyl)methyl]-N,N-dimethyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97442553
[6-(furan-3-ylmethyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]-morpholin-4-ylmethanone
CID 97462048
[6-[(3-methoxyphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]-piperidin-1-ylmethanone
CID 97442532
6-benzyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine-2-carboxylic acid
CID 13072042
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenylacetamide;hydrochloride
CID 44827183
6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid
CID 46839896
2-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)ethanamine
CID 83851705
2-amino-N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-phenylpropanamide
CID 119828595

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide?
The IUPAC name of 6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide (CID 97442519) is 6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide.
What is the SMILES notation for 6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide?
The canonical SMILES for 6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide is NC(=O)c1nc2c(s1)CCN(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide?
The InChIKey is GBVIDBXFULRYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c16-14(19)15-17-12-6-8-18(9-7-13(12)20-15)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,16,19).
What are the key properties of 6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide?
6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide is sourced from PubChem (CID 97442519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).