N-[5-[(2S,4S)-4-(5-formamido-1,3,4-thiadiazol-2-yl)-1-methylazetidin-2-yl]-1,3,4-thiadiazol-2-yl]formamide

C10H11N7O2S2 — CID 134305638

IUPACN-[5-[(2S,4S)-4-(5-formamido-1,3,4-thiadiazol-2-yl)-1-methylazetidin-2-yl]-1,3,4-thiadiazol-2-yl]formamide
SMILESCN1[C@H](c2nnc(NC=O)s2)C[C@H]1c1nnc(NC=O)s1
InChIInChI=1S/C10H11N7O2S2/c1-17-5(7-13-15-9(20-7)11-3-18)2-6(17)8-14-16-10(21-8)12-4-19/h3-6H,2H2,1H3,(H,11,15,18)(H,12,16,19)/t5-,6-/m0/s1
InChIKeyGOJZEZUFFLRPKZ-WDSKDSINSA-N
MW325.38 g/mol
LogP0.64
Rot. Bonds6

About N-[5-[(2S,4S)-4-(5-formamido-1,3,4-thiadiazol-2-yl)-1-methylazetidin-2-yl]-1,3,4-thiadiazol-2-yl]formamide

N-[5-[(2S,4S)-4-(5-formamido-1,3,4-thiadiazol-2-yl)-1-methylazetidin-2-yl]-1,3,4-thiadiazol-2-yl]formamide (PubChem CID 134305638) has the molecular formula C10H11N7O2S2 and a molecular weight of 325.38 g/mol. Its IUPAC name is N-[5-[(2S,4S)-4-(5-formamido-1,3,4-thiadiazol-2-yl)-1-methylazetidin-2-yl]-1,3,4-thiadiazol-2-yl]formamide.

Molecular Properties

Compound NameN-[5-[(2S,4S)-4-(5-formamido-1,3,4-thiadiazol-2-yl)-1-methylazetidin-2-yl]-1,3,4-thiadiazol-2-yl]formamide
PubChem CID134305638
Molecular FormulaC10H11N7O2S2
Molecular Weight325.38 g/mol
Exact Mass325.04
IUPAC NameN-[5-[(2S,4S)-4-(5-formamido-1,3,4-thiadiazol-2-yl)-1-methylazetidin-2-yl]-1,3,4-thiadiazol-2-yl]formamide
SMILESCN1[C@H](c2nnc(NC=O)s2)C[C@H]1c1nnc(NC=O)s1
InChIInChI=1S/C10H11N7O2S2/c1-17-5(7-13-15-9(20-7)11-3-18)2-6(17)8-14-16-10(21-8)12-4-19/h3-6H,2H2,1H3,(H,11,15,18)(H,12,16,19)/t5-,6-/m0/s1
InChIKeyGOJZEZUFFLRPKZ-WDSKDSINSA-N
XLogP0.64
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2S,4S)-4-(5-formamido-1,3,4-thiadiazol-2-yl)-1-methylazetidin-2-yl]-1,3,4-thiadiazol-2-yl]formamide?
The IUPAC name of N-[5-[(2S,4S)-4-(5-formamido-1,3,4-thiadiazol-2-yl)-1-methylazetidin-2-yl]-1,3,4-thiadiazol-2-yl]formamide (CID 134305638) is N-[5-[(2S,4S)-4-(5-formamido-1,3,4-thiadiazol-2-yl)-1-methylazetidin-2-yl]-1,3,4-thiadiazol-2-yl]formamide.
What is the SMILES notation for N-[5-[(2S,4S)-4-(5-formamido-1,3,4-thiadiazol-2-yl)-1-methylazetidin-2-yl]-1,3,4-thiadiazol-2-yl]formamide?
The canonical SMILES for N-[5-[(2S,4S)-4-(5-formamido-1,3,4-thiadiazol-2-yl)-1-methylazetidin-2-yl]-1,3,4-thiadiazol-2-yl]formamide is CN1[C@H](c2nnc(NC=O)s2)C[C@H]1c1nnc(NC=O)s1.
What is the InChIKey of N-[5-[(2S,4S)-4-(5-formamido-1,3,4-thiadiazol-2-yl)-1-methylazetidin-2-yl]-1,3,4-thiadiazol-2-yl]formamide?
The InChIKey is GOJZEZUFFLRPKZ-WDSKDSINSA-N. The full InChI is InChI=1S/C10H11N7O2S2/c1-17-5(7-13-15-9(20-7)11-3-18)2-6(17)8-14-16-10(21-8)12-4-19/h3-6H,2H2,1H3,(H,11,15,18)(H,12,16,19)/t5-,6-/m0/s1.
What are the key properties of N-[5-[(2S,4S)-4-(5-formamido-1,3,4-thiadiazol-2-yl)-1-methylazetidin-2-yl]-1,3,4-thiadiazol-2-yl]formamide?
N-[5-[(2S,4S)-4-(5-formamido-1,3,4-thiadiazol-2-yl)-1-methylazetidin-2-yl]-1,3,4-thiadiazol-2-yl]formamide has a molecular weight of 325.38 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2S,4S)-4-(5-formamido-1,3,4-thiadiazol-2-yl)-1-methylazetidin-2-yl]-1,3,4-thiadiazol-2-yl]formamide is sourced from PubChem (CID 134305638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).