N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

C14H14N6O3S — CID 71828845

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOCc1nnc(NC(=O)CCc2nc(-c3ccncc3)no2)s1
InChIInChI=1S/C14H14N6O3S/c1-22-8-12-18-19-14(24-12)16-10(21)2-3-11-17-13(20-23-11)9-4-6-15-7-5-9/h4-7H,2-3,8H2,1H3,(H,16,19,21)
InChIKeyNCZRCDYGFUABGC-UHFFFAOYSA-N
MW346.37 g/mol
LogP1.70
Rot. Bonds7

About N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 71828845) has the molecular formula C14H14N6O3S and a molecular weight of 346.37 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID71828845
Molecular FormulaC14H14N6O3S
Molecular Weight346.37 g/mol
Exact Mass346.08
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOCc1nnc(NC(=O)CCc2nc(-c3ccncc3)no2)s1
InChIInChI=1S/C14H14N6O3S/c1-22-8-12-18-19-14(24-12)16-10(21)2-3-11-17-13(20-23-11)9-4-6-15-7-5-9/h4-7H,2-3,8H2,1H3,(H,16,19,21)
InChIKeyNCZRCDYGFUABGC-UHFFFAOYSA-N
XLogP1.70
TPSA115.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 17354611
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17354575
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
CID 75538349
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30216008
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 16563029
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 134011961
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 26051072
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 31340196
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 18148953
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 26688189
N-[3-(2-methoxyethoxy)phenyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55878972
N-(6-methyl-2-pyridinyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17101587

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 71828845) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is COCc1nnc(NC(=O)CCc2nc(-c3ccncc3)no2)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is NCZRCDYGFUABGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O3S/c1-22-8-12-18-19-14(24-12)16-10(21)2-3-11-17-13(20-23-11)9-4-6-15-7-5-9/h4-7H,2-3,8H2,1H3,(H,16,19,21).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 346.37 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 71828845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).