formaldehyde;N-[5-[5-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]formamide

C11H15N7O2S2 — CID 145164829

IUPACformaldehyde;N-[5-[5-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]formamide
SMILESC=O.CNc1nnc(C2CC(c3nnc(NC=O)s3)CN2)s1
InChIInChI=1S/C10H13N7OS2.CH2O/c1-11-9-16-15-8(20-9)6-2-5(3-12-6)7-14-17-10(19-7)13-4-18;1-2/h4-6,12H,2-3H2,1H3,(H,11,16)(H,13,17,18);1H2
InChIKeyAIKJRWOSPZZHEJ-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.63
Rot. Bonds5

About formaldehyde;N-[5-[5-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]formamide

formaldehyde;N-[5-[5-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]formamide (PubChem CID 145164829) has the molecular formula C11H15N7O2S2 and a molecular weight of 341.42 g/mol. Its IUPAC name is formaldehyde;N-[5-[5-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]formamide.

Molecular Properties

Compound Nameformaldehyde;N-[5-[5-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]formamide
PubChem CID145164829
Molecular FormulaC11H15N7O2S2
Molecular Weight341.42 g/mol
Exact Mass341.07
IUPAC Nameformaldehyde;N-[5-[5-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]formamide
SMILESC=O.CNc1nnc(C2CC(c3nnc(NC=O)s3)CN2)s1
InChIInChI=1S/C10H13N7OS2.CH2O/c1-11-9-16-15-8(20-9)6-2-5(3-12-6)7-14-17-10(19-7)13-4-18;1-2/h4-6,12H,2-3H2,1H3,(H,11,16)(H,13,17,18);1H2
InChIKeyAIKJRWOSPZZHEJ-UHFFFAOYSA-N
XLogP0.63
TPSA121.79 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;N-[5-[5-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]formamide?
The IUPAC name of formaldehyde;N-[5-[5-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]formamide (CID 145164829) is formaldehyde;N-[5-[5-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]formamide.
What is the SMILES notation for formaldehyde;N-[5-[5-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]formamide?
The canonical SMILES for formaldehyde;N-[5-[5-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]formamide is C=O.CNc1nnc(C2CC(c3nnc(NC=O)s3)CN2)s1.
What is the InChIKey of formaldehyde;N-[5-[5-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]formamide?
The InChIKey is AIKJRWOSPZZHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7OS2.CH2O/c1-11-9-16-15-8(20-9)6-2-5(3-12-6)7-14-17-10(19-7)13-4-18;1-2/h4-6,12H,2-3H2,1H3,(H,11,16)(H,13,17,18);1H2.
What are the key properties of formaldehyde;N-[5-[5-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]formamide?
formaldehyde;N-[5-[5-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]formamide has a molecular weight of 341.42 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;N-[5-[5-[5-(methylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]formamide is sourced from PubChem (CID 145164829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).