N-[(1-methylpyrrol-2-yl)methyl]thiadiazol-5-amine

C8H10N4S — CID 107234475

IUPACN-[(1-methylpyrrol-2-yl)methyl]thiadiazol-5-amine
SMILESCn1cccc1CNc1cnns1
InChIInChI=1S/C8H10N4S/c1-12-4-2-3-7(12)5-9-8-6-10-11-13-8/h2-4,6,9H,5H2,1H3
InChIKeyRRWWAMRXBULYCY-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.49
Rot. Bonds3

About N-[(1-methylpyrrol-2-yl)methyl]thiadiazol-5-amine

N-[(1-methylpyrrol-2-yl)methyl]thiadiazol-5-amine (PubChem CID 107234475) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]thiadiazol-5-amine
PubChem CID107234475
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]thiadiazol-5-amine
SMILESCn1cccc1CNc1cnns1
InChIInChI=1S/C8H10N4S/c1-12-4-2-3-7(12)5-9-8-6-10-11-13-8/h2-4,6,9H,5H2,1H3
InChIKeyRRWWAMRXBULYCY-UHFFFAOYSA-N
XLogP1.49
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethylimidazol-4-yl)methyl]thiadiazol-5-amine
CID 107649117
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]butan-2-amine
CID 29008129
4-iodo-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28876919
N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride
CID 17293409
6-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridin-2-amine
CID 115663458
4-ethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28877030
2,4,6-trimethyl-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132954
N-[(1-methylpyrrol-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 62129273
N-methoxy-1-(1-methylpyrrol-2-yl)methanamine
CID 82706215
4-(1H-imidazol-5-yl)-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132582
3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28876782
2,5-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 28877385

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]thiadiazol-5-amine?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]thiadiazol-5-amine (CID 107234475) is N-[(1-methylpyrrol-2-yl)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]thiadiazol-5-amine?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]thiadiazol-5-amine is Cn1cccc1CNc1cnns1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]thiadiazol-5-amine?
The InChIKey is RRWWAMRXBULYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-12-4-2-3-7(12)5-9-8-6-10-11-13-8/h2-4,6,9H,5H2,1H3.
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]thiadiazol-5-amine?
N-[(1-methylpyrrol-2-yl)methyl]thiadiazol-5-amine has a molecular weight of 194.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 107234475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).