N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide

C15H16N4O2S2 — CID 43953611

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
SMILESCCc1nnc(NC(=O)CN2C(=O)CCSc3ccccc32)s1
InChIInChI=1S/C15H16N4O2S2/c1-2-13-17-18-15(23-13)16-12(20)9-19-10-5-3-4-6-11(10)22-8-7-14(19)21/h3-6H,2,7-9H2,1H3,(H,16,18,20)
InChIKeyMQXJRAHIWNGJOF-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.57
Rot. Bonds4

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide (PubChem CID 43953611) has the molecular formula C15H16N4O2S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
PubChem CID43953611
Molecular FormulaC15H16N4O2S2
Molecular Weight348.45 g/mol
Exact Mass348.07
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
SMILESCCc1nnc(NC(=O)CN2C(=O)CCSc3ccccc32)s1
InChIInChI=1S/C15H16N4O2S2/c1-2-13-17-18-15(23-13)16-12(20)9-19-10-5-3-4-6-11(10)22-8-7-14(19)21/h3-6H,2,7-9H2,1H3,(H,16,18,20)
InChIKeyMQXJRAHIWNGJOF-UHFFFAOYSA-N
XLogP2.57
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
CID 43953612
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18195955
2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetohydrazide
CID 23057172
5-propyl-2,3-dihydro-1,5-benzothiazepin-4-one
CID 43953804
1-[(1,3-dioxoisoindol-2-yl)methyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 19259014
2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 20881576
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 6464660
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 18084166
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 787680
1-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 107642753
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,3-dihydro-1,5-benzothiazepin-4-one
CID 6620021
N-(2,6-dimethylphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195903

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide (CID 43953611) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide is CCc1nnc(NC(=O)CN2C(=O)CCSc3ccccc32)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide?
The InChIKey is MQXJRAHIWNGJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S2/c1-2-13-17-18-15(23-13)16-12(20)9-19-10-5-3-4-6-11(10)22-8-7-14(19)21/h3-6H,2,7-9H2,1H3,(H,16,18,20).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide has a molecular weight of 348.45 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide is sourced from PubChem (CID 43953611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).