N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

C19H21N5S — CID 133473212

IUPACN-(1-benzyl-4-methylpyrrolidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC1CN(Cc2ccccc2)CC1Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C19H21N5S/c1-14-11-24(12-15-7-3-2-4-8-15)13-17(14)21-19-23-22-18(25-19)16-9-5-6-10-20-16/h2-10,14,17H,11-13H2,1H3,(H,21,23)
InChIKeyFZQATGLWCMUKSK-UHFFFAOYSA-N
MW351.48 g/mol
LogP3.53
Rot. Bonds5

About N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 133473212) has the molecular formula C19H21N5S and a molecular weight of 351.48 g/mol. Its IUPAC name is N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1-benzyl-4-methylpyrrolidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID133473212
Molecular FormulaC19H21N5S
Molecular Weight351.48 g/mol
Exact Mass351.15
IUPAC NameN-(1-benzyl-4-methylpyrrolidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC1CN(Cc2ccccc2)CC1Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C19H21N5S/c1-14-11-24(12-15-7-3-2-4-8-15)13-17(14)21-19-23-22-18(25-19)16-9-5-6-10-20-16/h2-10,14,17H,11-13H2,1H3,(H,21,23)
InChIKeyFZQATGLWCMUKSK-UHFFFAOYSA-N
XLogP3.53
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1-benzyl-4-methylpyrrolidin-3-yl)amino]-1,3-thiazole-5-sulfonamide
CID 133473240
N-(1-benzyl-3-methylpiperidin-4-yl)pyridin-2-amine
CID 130893109
N-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide
CID 129429508
N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide
CID 129429507
N-(1-benzyl-4-methylpyrrolidin-3-yl)-4,5-dimethylpyrimidin-2-amine
CID 133473298
2-N-(1-benzyl-3-methylpiperidin-4-yl)-1,3-thiazole-2,5-diamine
CID 130855413
N-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133468186
N-[2-(3-methylpiperidin-1-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133442238
N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-bromo-2-chloropyrimidin-4-amine
CID 130908937
1-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-3-(2-pyridin-2-ylethyl)urea
CID 129429081
1-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-3-(2-pyridin-2-ylethyl)urea
CID 129429082
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (CID 133473212) is N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is CC1CN(Cc2ccccc2)CC1Nc1nnc(-c2ccccn2)s1.
What is the InChIKey of N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is FZQATGLWCMUKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5S/c1-14-11-24(12-15-7-3-2-4-8-15)13-17(14)21-19-23-22-18(25-19)16-9-5-6-10-20-16/h2-10,14,17H,11-13H2,1H3,(H,21,23).
What are the key properties of N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 351.48 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133473212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).