N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide

C14H13N5O3S — CID 124560939

IUPACN-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCOc1ccccc1[C@H](NC(=O)c1cnsn1)c1noc(C)n1
InChIInChI=1S/C14H13N5O3S/c1-8-16-13(18-22-8)12(9-5-3-4-6-11(9)21-2)17-14(20)10-7-15-23-19-10/h3-7,12H,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyUZURFDSQTCXBLF-LBPRGKRZSA-N
MW331.36 g/mol
LogP1.76
Rot. Bonds5

About N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide

N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 124560939) has the molecular formula C14H13N5O3S and a molecular weight of 331.36 g/mol. Its IUPAC name is N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide
PubChem CID124560939
Molecular FormulaC14H13N5O3S
Molecular Weight331.36 g/mol
Exact Mass331.07
IUPAC NameN-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCOc1ccccc1[C@H](NC(=O)c1cnsn1)c1noc(C)n1
InChIInChI=1S/C14H13N5O3S/c1-8-16-13(18-22-8)12(9-5-3-4-6-11(9)21-2)17-14(20)10-7-15-23-19-10/h3-7,12H,1-2H3,(H,17,20)/t12-/m0/s1
InChIKeyUZURFDSQTCXBLF-LBPRGKRZSA-N
XLogP1.76
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide with MolForge

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Related Compounds

N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-3-carboxamide
CID 95380003
N-[(R)-(2-methoxyphenyl)-pyridin-2-ylmethyl]-1,2,5-thiadiazole-3-carboxamide
CID 124514193
3-fluoro-N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 95380015
(2S)-N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbutanamide
CID 95380023
N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylbut-2-enamide
CID 95380039
1-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(1H-pyrazol-4-yl)urea
CID 95769889
3-cyano-N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 95379991
N-[(R)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-indole-7-carboxamide
CID 96563433
N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 99807901
N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazolidine-3-carboxamide
CID 134068676
N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939242
3-(2-aminophenyl)-N-[(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide;hydrochloride
CID 120610826

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide (CID 124560939) is N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide is COc1ccccc1[C@H](NC(=O)c1cnsn1)c1noc(C)n1.
What is the InChIKey of N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is UZURFDSQTCXBLF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H13N5O3S/c1-8-16-13(18-22-8)12(9-5-3-4-6-11(9)21-2)17-14(20)10-7-15-23-19-10/h3-7,12H,1-2H3,(H,17,20)/t12-/m0/s1.
What are the key properties of N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide?
N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 331.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 124560939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).