N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

C19H20N4O4S — CID 2359813

IUPACN-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2nnc(-c3cccnc3)s2)cc(OC)c1OC
InChIInChI=1S/C19H20N4O4S/c1-25-14-9-12(10-15(26-2)17(14)27-3)6-7-16(24)21-19-23-22-18(28-19)13-5-4-8-20-11-13/h4-5,8-11H,6-7H2,1-3H3,(H,21,23,24)
InChIKeySWKFRQQJSUKFCC-UHFFFAOYSA-N
MW400.46 g/mol
LogP3.20
Rot. Bonds8

About N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 2359813) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID2359813
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2nnc(-c3cccnc3)s2)cc(OC)c1OC
InChIInChI=1S/C19H20N4O4S/c1-25-14-9-12(10-15(26-2)17(14)27-3)6-7-16(24)21-19-23-22-18(28-19)13-5-4-8-20-11-13/h4-5,8-11H,6-7H2,1-3H3,(H,21,23,24)
InChIKeySWKFRQQJSUKFCC-UHFFFAOYSA-N
XLogP3.20
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 845637
3-(3-chloro-4-methoxyphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 55510042
4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 66634960
N'-hydroxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)octanediamide
CID 118716313
1-pyridin-3-yl-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 94921716
N-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 33497824
N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-oxo-2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)amino]ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetamide
CID 56970819
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 9269124
2-(3,4-dimethoxy-5-pyridin-3-ylphenyl)ethanamine
CID 39226574
N-quinolin-8-yl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 26123575
2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 4800365
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-pyridin-3-ylacetamide
CID 45489482

Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide (CID 2359813) is N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)Nc2nnc(-c3cccnc3)s2)cc(OC)c1OC.
What is the InChIKey of N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is SWKFRQQJSUKFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-25-14-9-12(10-15(26-2)17(14)27-3)6-7-16(24)21-19-23-22-18(28-19)13-5-4-8-20-11-13/h4-5,8-11H,6-7H2,1-3H3,(H,21,23,24).
What are the key properties of N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide?
N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 400.46 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 2359813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).