N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

C16H15N5O2S — CID 97142637

IUPACN-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1nnc(N)s1
InChIInChI=1S/C16H15N5O2S/c1-9(15-20-21-16(17)24-15)18-13(22)11-7-8-12(19-14(11)23)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,21)(H,18,22)(H,19,23)/t9-/m0/s1
InChIKeyDDKSIAKLCFMFCC-VIFPVBQESA-N
MW341.40 g/mol
LogP1.97
Rot. Bonds4

About N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (PubChem CID 97142637) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
PubChem CID97142637
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC NameN-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1nnc(N)s1
InChIInChI=1S/C16H15N5O2S/c1-9(15-20-21-16(17)24-15)18-13(22)11-7-8-12(19-14(11)23)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,21)(H,18,22)(H,19,23)/t9-/m0/s1
InChIKeyDDKSIAKLCFMFCC-VIFPVBQESA-N
XLogP1.97
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (CID 97142637) is N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is C[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1nnc(N)s1.
What is the InChIKey of N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is DDKSIAKLCFMFCC-VIFPVBQESA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-9(15-20-21-16(17)24-15)18-13(22)11-7-8-12(19-14(11)23)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,21)(H,18,22)(H,19,23)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 341.40 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 97142637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).