N-(1,3-benzothiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylacetamide

C17H20N6OS2 — CID 27094684

IUPACN-(1,3-benzothiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylacetamide
SMILESCCN(C(=O)CSc1nnnn1C1CCCC1)c1nc2ccccc2s1
InChIInChI=1S/C17H20N6OS2/c1-2-22(16-18-13-9-5-6-10-14(13)26-16)15(24)11-25-17-19-20-21-23(17)12-7-3-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3
InChIKeyCYNIBFYEEKDELI-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.54
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylacetamide

N-(1,3-benzothiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylacetamide (PubChem CID 27094684) has the molecular formula C17H20N6OS2 and a molecular weight of 388.52 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylacetamide
PubChem CID27094684
Molecular FormulaC17H20N6OS2
Molecular Weight388.52 g/mol
Exact Mass388.11
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylacetamide
SMILESCCN(C(=O)CSc1nnnn1C1CCCC1)c1nc2ccccc2s1
InChIInChI=1S/C17H20N6OS2/c1-2-22(16-18-13-9-5-6-10-14(13)26-16)15(24)11-25-17-19-20-21-23(17)12-7-3-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3
InChIKeyCYNIBFYEEKDELI-UHFFFAOYSA-N
XLogP3.54
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(1,3-benzothiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-2-yl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylacetamide
CID 27630692
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(2-methylpiperidin-1-yl)acetamide
CID 78815678
N,N-dicyclohexyl-2-(1-cyclohexyltetrazol-5-yl)sulfanylacetamide
CID 3870642
N-[(2-bromophenyl)methyl]-2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-methylacetamide
CID 24521893
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40702766
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134002877
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 27094394
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 111496521
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46566048
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(9-oxoacridin-10-yl)acetamide
CID 16605874
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide
CID 43053428
N-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfanyl-N-(2-pyrazol-1-ylethyl)acetamide
CID 30460361

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylacetamide (CID 27094684) is N-(1,3-benzothiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylacetamide is CCN(C(=O)CSc1nnnn1C1CCCC1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylacetamide?
The InChIKey is CYNIBFYEEKDELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS2/c1-2-22(16-18-13-9-5-6-10-14(13)26-16)15(24)11-25-17-19-20-21-23(17)12-7-3-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylacetamide?
N-(1,3-benzothiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylacetamide has a molecular weight of 388.52 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylacetamide is sourced from PubChem (CID 27094684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).