N-[6-[1-(2,1,3-benzothiadiazol-5-yl)ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide

C17H19N5OS2 — CID 154685614

IUPACN-[6-[1-(2,1,3-benzothiadiazol-5-yl)ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)CCN(C(C)c1ccc3nsnc3c1)CC2
InChIInChI=1S/C17H19N5OS2/c1-10(12-3-4-13-15(9-12)21-25-20-13)22-7-5-14-16(6-8-22)24-17(19-14)18-11(2)23/h3-4,9-10H,5-8H2,1-2H3,(H,18,19,23)
InChIKeyDBUKTIMFKPGDLI-UHFFFAOYSA-N
MW373.51 g/mol
LogP3.27
Rot. Bonds3

About N-[6-[1-(2,1,3-benzothiadiazol-5-yl)ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide

N-[6-[1-(2,1,3-benzothiadiazol-5-yl)ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide (PubChem CID 154685614) has the molecular formula C17H19N5OS2 and a molecular weight of 373.51 g/mol. Its IUPAC name is N-[6-[1-(2,1,3-benzothiadiazol-5-yl)ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[1-(2,1,3-benzothiadiazol-5-yl)ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide
PubChem CID154685614
Molecular FormulaC17H19N5OS2
Molecular Weight373.51 g/mol
Exact Mass373.10
IUPAC NameN-[6-[1-(2,1,3-benzothiadiazol-5-yl)ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide
SMILESCC(=O)Nc1nc2c(s1)CCN(C(C)c1ccc3nsnc3c1)CC2
InChIInChI=1S/C17H19N5OS2/c1-10(12-3-4-13-15(9-12)21-25-20-13)22-7-5-14-16(6-8-22)24-17(19-14)18-11(2)23/h3-4,9-10H,5-8H2,1-2H3,(H,18,19,23)
InChIKeyDBUKTIMFKPGDLI-UHFFFAOYSA-N
XLogP3.27
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[1-(2,1,3-benzothiadiazol-5-yl)ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide with MolForge

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Related Compounds

N-[5-(2,1,3-benzothiadiazole-5-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525198
N-(6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)acetamide
CID 19985779
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
N-[7-[1-(1,3-benzothiazol-5-yl)ethyl]-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-yl]acetamide
CID 146412558
N-[5-(3-methylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525045
N-[6-[1-(1,3-benzothiazol-5-yl)cyclopropyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide
CID 154685683
4-chloro-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 16809110
3-acetamido-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-methylphenyl)propanamide
CID 46523320
2-(2-acetamido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-N,N-diethylacetamide
CID 90525284
6-(1-quinoxalin-6-ylethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine
CID 164762728
N-[5-(2-phenoxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 90525102
N-(5-benzoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,3-diphenylpropanamide
CID 108725786

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(2,1,3-benzothiadiazol-5-yl)ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide?
The IUPAC name of N-[6-[1-(2,1,3-benzothiadiazol-5-yl)ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide (CID 154685614) is N-[6-[1-(2,1,3-benzothiadiazol-5-yl)ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide.
What is the SMILES notation for N-[6-[1-(2,1,3-benzothiadiazol-5-yl)ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide?
The canonical SMILES for N-[6-[1-(2,1,3-benzothiadiazol-5-yl)ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide is CC(=O)Nc1nc2c(s1)CCN(C(C)c1ccc3nsnc3c1)CC2.
What is the InChIKey of N-[6-[1-(2,1,3-benzothiadiazol-5-yl)ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide?
The InChIKey is DBUKTIMFKPGDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS2/c1-10(12-3-4-13-15(9-12)21-25-20-13)22-7-5-14-16(6-8-22)24-17(19-14)18-11(2)23/h3-4,9-10H,5-8H2,1-2H3,(H,18,19,23).
What are the key properties of N-[6-[1-(2,1,3-benzothiadiazol-5-yl)ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide?
N-[6-[1-(2,1,3-benzothiadiazol-5-yl)ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide has a molecular weight of 373.51 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(2,1,3-benzothiadiazol-5-yl)ethyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl]acetamide is sourced from PubChem (CID 154685614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).