N-[6-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine

C18H20N6S — CID 95820339

IUPACN-[6-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1nc(Nc2nncs2)cc([C@@H]2CCCN2Cc2ccccc2)n1
InChIInChI=1S/C18H20N6S/c1-13-20-15(10-17(21-13)22-18-23-19-12-25-18)16-8-5-9-24(16)11-14-6-3-2-4-7-14/h2-4,6-7,10,12,16H,5,8-9,11H2,1H3,(H,20,21,22,23)/t16-/m0/s1
InChIKeyCKSAYASFOWJGCB-INIZCTEOSA-N
MW352.47 g/mol
LogP3.72
Rot. Bonds5

About N-[6-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine

N-[6-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 95820339) has the molecular formula C18H20N6S and a molecular weight of 352.47 g/mol. Its IUPAC name is N-[6-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[6-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
PubChem CID95820339
Molecular FormulaC18H20N6S
Molecular Weight352.47 g/mol
Exact Mass352.15
IUPAC NameN-[6-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1nc(Nc2nncs2)cc([C@@H]2CCCN2Cc2ccccc2)n1
InChIInChI=1S/C18H20N6S/c1-13-20-15(10-17(21-13)22-18-23-19-12-25-18)16-8-5-9-24(16)11-14-6-3-2-4-7-14/h2-4,6-7,10,12,16H,5,8-9,11H2,1H3,(H,20,21,22,23)/t16-/m0/s1
InChIKeyCKSAYASFOWJGCB-INIZCTEOSA-N
XLogP3.72
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-methyl-6-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 110255678
N-[6-[(2R)-1-ethylpiperidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95844414
N-[2-methyl-6-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820356
1-[2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110255590
2-amino-1-[2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110089950
N-[2-methyl-6-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110255606
N-[6-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine
CID 95836178
N-[6-[(2S)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazin-2-yl]-1,3,4-thiadiazol-2-amine
CID 95836155
N,N-dimethyl-2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide
CID 110255655
3-[6-(1-benzylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoic acid
CID 132764003
N-[2-methyl-6-[(3S)-1-methylpiperidin-3-yl]pyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820358
4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
CID 95839904

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[6-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine (CID 95820339) is N-[6-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[6-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[6-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine is Cc1nc(Nc2nncs2)cc([C@@H]2CCCN2Cc2ccccc2)n1.
What is the InChIKey of N-[6-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CKSAYASFOWJGCB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N6S/c1-13-20-15(10-17(21-13)22-18-23-19-12-25-18)16-8-5-9-24(16)11-14-6-3-2-4-7-14/h2-4,6-7,10,12,16H,5,8-9,11H2,1H3,(H,20,21,22,23)/t16-/m0/s1.
What are the key properties of N-[6-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine?
N-[6-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 352.47 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 95820339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).