N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

C19H17N5O4S — CID 30216008

IUPACN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOc1cc2nc(NC(=O)CCc3nc(-c4ccncc4)no3)sc2cc1OC
InChIInChI=1S/C19H17N5O4S/c1-26-13-9-12-15(10-14(13)27-2)29-19(21-12)22-16(25)3-4-17-23-18(24-28-17)11-5-7-20-8-6-11/h5-10H,3-4H2,1-2H3,(H,21,22,25)
InChIKeyPRDBMJWVOHVUOL-UHFFFAOYSA-N
MW411.44 g/mol
LogP3.33
Rot. Bonds7

About N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 30216008) has the molecular formula C19H17N5O4S and a molecular weight of 411.44 g/mol. Its IUPAC name is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID30216008
Molecular FormulaC19H17N5O4S
Molecular Weight411.44 g/mol
Exact Mass411.10
IUPAC NameN-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOc1cc2nc(NC(=O)CCc3nc(-c4ccncc4)no3)sc2cc1OC
InChIInChI=1S/C19H17N5O4S/c1-26-13-9-12-15(10-14(13)27-2)29-19(21-12)22-16(25)3-4-17-23-18(24-28-17)11-5-7-20-8-6-11/h5-10H,3-4H2,1-2H3,(H,21,22,25)
InChIKeyPRDBMJWVOHVUOL-UHFFFAOYSA-N
XLogP3.33
TPSA112.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 71828845
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55631662
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 26688189
N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51231604
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 31340196
N-(1,3-benzothiazol-2-yl)-3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16619167
tert-butyl N-[2-methoxy-5-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]phenyl]carbamate
CID 55654493
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 17354519
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55623845
N-[2-(2-methoxyphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30135441
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26051072
methyl 3-(3,4-dimethoxyphenyl)-3-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoate
CID 55501269

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 30216008) is N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is COc1cc2nc(NC(=O)CCc3nc(-c4ccncc4)no3)sc2cc1OC.
What is the InChIKey of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is PRDBMJWVOHVUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4S/c1-26-13-9-12-15(10-14(13)27-2)29-19(21-12)22-16(25)3-4-17-23-18(24-28-17)11-5-7-20-8-6-11/h5-10H,3-4H2,1-2H3,(H,21,22,25).
What are the key properties of N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 411.44 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 30216008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).