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

C11H12N6O2S2 — CID 138478455

IUPACN-[5-[(1S,3S)-3-(5-formamido-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide
SMILESO=CNc1nnc([C@H]2CC[C@H](c3nnc(NC=O)s3)C2)s1
InChIInChI=1S/C11H12N6O2S2/c18-4-12-10-16-14-8(20-10)6-1-2-7(3-6)9-15-17-11(21-9)13-5-19/h4-7H,1-3H2,(H,12,16,18)(H,13,17,19)/t6-,7-/m0/s1
InChIKeyRVBPITOPULHTAM-BQBZGAKWSA-N
MW324.39 g/mol
LogP1.58
Rot. Bonds6

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

N-[5-[(1S,3S)-3-(5-formamido-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide (PubChem CID 138478455) has the molecular formula C11H12N6O2S2 and a molecular weight of 324.39 g/mol. Its IUPAC name is N-[5-[(1S,3S)-3-(5-formamido-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide.

Molecular Properties

Compound NameN-[5-[(1S,3S)-3-(5-formamido-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide
PubChem CID138478455
Molecular FormulaC11H12N6O2S2
Molecular Weight324.39 g/mol
Exact Mass324.05
IUPAC NameN-[5-[(1S,3S)-3-(5-formamido-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide
SMILESO=CNc1nnc([C@H]2CC[C@H](c3nnc(NC=O)s3)C2)s1
InChIInChI=1S/C11H12N6O2S2/c18-4-12-10-16-14-8(20-10)6-1-2-7(3-6)9-15-17-11(21-9)13-5-19/h4-7H,1-3H2,(H,12,16,18)(H,13,17,19)/t6-,7-/m0/s1
InChIKeyRVBPITOPULHTAM-BQBZGAKWSA-N
XLogP1.58
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[(1S,3R)-3-(5-formamido-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide
CID 138478505
N-[5-[(1R,3R)-3-[5-[(Z)-aminomethylideneamino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide
CID 144630567
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
formaldehyde;N-[5-[5-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]formamide
CID 145164829
5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 58313047
N-[5-[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123932745
N-[5-[(1S,3S)-3-[5-(cyclopentanecarbonylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
CID 90163335
5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine;ethane
CID 143124227
5-[(3S)-3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-amine
CID 144630869
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 35280994
cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 841900
N-[6-[(5R)-5-(5-formamido-1,3,4-thiadiazol-2-yl)-2,4-dimethylcyclohexyl]pyridazin-3-yl]formamide
CID 129135973

Frequently Asked Questions

What is the IUPAC name of N-[5-[(1S,3S)-3-(5-formamido-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide?
The IUPAC name of N-[5-[(1S,3S)-3-(5-formamido-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide (CID 138478455) is N-[5-[(1S,3S)-3-(5-formamido-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide.
What is the SMILES notation for N-[5-[(1S,3S)-3-(5-formamido-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide?
The canonical SMILES for N-[5-[(1S,3S)-3-(5-formamido-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide is O=CNc1nnc([C@H]2CC[C@H](c3nnc(NC=O)s3)C2)s1.
What is the InChIKey of N-[5-[(1S,3S)-3-(5-formamido-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide?
The InChIKey is RVBPITOPULHTAM-BQBZGAKWSA-N. The full InChI is InChI=1S/C11H12N6O2S2/c18-4-12-10-16-14-8(20-10)6-1-2-7(3-6)9-15-17-11(21-9)13-5-19/h4-7H,1-3H2,(H,12,16,18)(H,13,17,19)/t6-,7-/m0/s1.
What are the key properties of N-[5-[(1S,3S)-3-(5-formamido-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide?
N-[5-[(1S,3S)-3-(5-formamido-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide has a molecular weight of 324.39 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(1S,3S)-3-(5-formamido-1,3,4-thiadiazol-2-yl)cyclopentyl]-1,3,4-thiadiazol-2-yl]formamide is sourced from PubChem (CID 138478455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).