N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

C17H18N4O2S2 — CID 42567188

IUPACN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(-c2ccsc2)o1)NCc1nc2c(s1)CCCC2
InChIInChI=1S/C17H18N4O2S2/c22-14(18-9-16-19-12-3-1-2-4-13(12)25-16)5-6-15-20-21-17(23-15)11-7-8-24-10-11/h7-8,10H,1-6,9H2,(H,18,22)
InChIKeyOEBQFTLXFXTMAX-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.38
Rot. Bonds6

About N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide

N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 42567188) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID42567188
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC NameN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESO=C(CCc1nnc(-c2ccsc2)o1)NCc1nc2c(s1)CCCC2
InChIInChI=1S/C17H18N4O2S2/c22-14(18-9-16-19-12-3-1-2-4-13(12)25-16)5-6-15-20-21-17(23-15)11-7-8-24-10-11/h7-8,10H,1-6,9H2,(H,18,22)
InChIKeyOEBQFTLXFXTMAX-UHFFFAOYSA-N
XLogP3.38
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 25475323
N-[(4-methylphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38039853
N-[(5-bromothiophen-2-yl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 32822433
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 33040507
N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55693142
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)propanamide
CID 42567051
N-[2-oxo-2-(propylamino)ethyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38020884
N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55708548
N-[(1-phenylcyclopentyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38139231
N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51886384
N-(3-pyridin-3-ylpropyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 42521898
N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38263182

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 42567188) is N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is O=C(CCc1nnc(-c2ccsc2)o1)NCc1nc2c(s1)CCCC2.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is OEBQFTLXFXTMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c22-14(18-9-16-19-12-3-1-2-4-13(12)25-16)5-6-15-20-21-17(23-15)11-7-8-24-10-11/h7-8,10H,1-6,9H2,(H,18,22).
What are the key properties of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 374.49 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 42567188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).