N-[(1-propylpyrrol-2-yl)methyl]-1,3,4-thiadiazol-2-amine

C10H14N4S — CID 107648591

IUPACN-[(1-propylpyrrol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCCn1cccc1CNc1nncs1
InChIInChI=1S/C10H14N4S/c1-2-5-14-6-3-4-9(14)7-11-10-13-12-8-15-10/h3-4,6,8H,2,5,7H2,1H3,(H,11,13)
InChIKeyPMGXPHKWRUMJGV-UHFFFAOYSA-N
MW222.32 g/mol
LogP2.36
Rot. Bonds5

About N-[(1-propylpyrrol-2-yl)methyl]-1,3,4-thiadiazol-2-amine

N-[(1-propylpyrrol-2-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 107648591) has the molecular formula C10H14N4S and a molecular weight of 222.32 g/mol. Its IUPAC name is N-[(1-propylpyrrol-2-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-propylpyrrol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID107648591
Molecular FormulaC10H14N4S
Molecular Weight222.32 g/mol
Exact Mass222.09
IUPAC NameN-[(1-propylpyrrol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCCn1cccc1CNc1nncs1
InChIInChI=1S/C10H14N4S/c1-2-5-14-6-3-4-9(14)7-11-10-13-12-8-15-10/h3-4,6,8H,2,5,7H2,1H3,(H,11,13)
InChIKeyPMGXPHKWRUMJGV-UHFFFAOYSA-N
XLogP2.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrrol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(1-propylpyrrol-2-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 107648591) is N-[(1-propylpyrrol-2-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(1-propylpyrrol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(1-propylpyrrol-2-yl)methyl]-1,3,4-thiadiazol-2-amine is CCCn1cccc1CNc1nncs1.
What is the InChIKey of N-[(1-propylpyrrol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is PMGXPHKWRUMJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S/c1-2-5-14-6-3-4-9(14)7-11-10-13-12-8-15-10/h3-4,6,8H,2,5,7H2,1H3,(H,11,13).
What are the key properties of N-[(1-propylpyrrol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
N-[(1-propylpyrrol-2-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 222.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpyrrol-2-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).