methyl-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]carbamic acid

C10H16N4O2S — CID 67217853

IUPACmethyl-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]carbamic acid
SMILESCN(Cc1nnc(CN2CCCC2)s1)C(=O)O
InChIInChI=1S/C10H16N4O2S/c1-13(10(15)16)6-8-11-12-9(17-8)7-14-4-2-3-5-14/h2-7H2,1H3,(H,15,16)
InChIKeyFQYFSYUCRHBPOS-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.24
Rot. Bonds4

About methyl-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]carbamic acid

methyl-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]carbamic acid (PubChem CID 67217853) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is methyl-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]carbamic acid
PubChem CID67217853
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Namemethyl-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]carbamic acid
SMILESCN(Cc1nnc(CN2CCCC2)s1)C(=O)O
InChIInChI=1S/C10H16N4O2S/c1-13(10(15)16)6-8-11-12-9(17-8)7-14-4-2-3-5-14/h2-7H2,1H3,(H,15,16)
InChIKeyFQYFSYUCRHBPOS-UHFFFAOYSA-N
XLogP1.24
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]carbamic acid?
The IUPAC name of methyl-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]carbamic acid (CID 67217853) is methyl-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]carbamic acid.
What is the SMILES notation for methyl-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]carbamic acid?
The canonical SMILES for methyl-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]carbamic acid is CN(Cc1nnc(CN2CCCC2)s1)C(=O)O.
What is the InChIKey of methyl-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]carbamic acid?
The InChIKey is FQYFSYUCRHBPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-13(10(15)16)6-8-11-12-9(17-8)7-14-4-2-3-5-14/h2-7H2,1H3,(H,15,16).
What are the key properties of methyl-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]carbamic acid?
methyl-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]carbamic acid has a molecular weight of 256.33 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]carbamic acid is sourced from PubChem (CID 67217853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).