2-methyl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-thiadiazole

C10H14N6S — CID 136585671

IUPAC2-methyl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-thiadiazole
SMILESCc1nnc(CN2CCC[C@H]2c2ncn[nH]2)s1
InChIInChI=1S/C10H14N6S/c1-7-13-14-9(17-7)5-16-4-2-3-8(16)10-11-6-12-15-10/h6,8H,2-5H2,1H3,(H,11,12,15)/t8-/m0/s1
InChIKeyFTJPLLZCLWYQDK-QMMMGPOBSA-N
MW250.33 g/mol
LogP1.30
Rot. Bonds3

About 2-methyl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-thiadiazole

2-methyl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-thiadiazole (PubChem CID 136585671) has the molecular formula C10H14N6S and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-methyl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-thiadiazole
PubChem CID136585671
Molecular FormulaC10H14N6S
Molecular Weight250.33 g/mol
Exact Mass250.10
IUPAC Name2-methyl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-thiadiazole
SMILESCc1nnc(CN2CCC[C@H]2c2ncn[nH]2)s1
InChIInChI=1S/C10H14N6S/c1-7-13-14-9(17-7)5-16-4-2-3-8(16)10-11-6-12-15-10/h6,8H,2-5H2,1H3,(H,11,12,15)/t8-/m0/s1
InChIKeyFTJPLLZCLWYQDK-QMMMGPOBSA-N
XLogP1.30
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-5-{[2-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl}-1H-1,2,4-triazole
CID 77090173
4-methyl-3-propan-2-yl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,2,4-triazole
CID 138025128
2-tert-butyl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]tetrazole
CID 138025139
2-methyl-5-[(3S)-3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-1,3,4-thiadiazole
CID 164632630
5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1-(2,2,2-trifluoroethyl)tetrazole
CID 138025137
1-ethyl-5-[[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1,2,4-triazole
CID 99939429
1-ethyl-5-[[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]-1,2,4-triazole
CID 99939431
5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 106282834
2-methyl-5-[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]-1,3,4-thiadiazole
CID 128901900
1-[(5-Methyl-1,3,4-thiadiazol-2-YL)methyl]-3-(4H-1,2,4-triazol-3-YL)piperidine
CID 131947953
2-methyl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]tetrazole
CID 146139061
1-methyl-5-[2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethyl]tetrazole
CID 155954481

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-thiadiazole (CID 136585671) is 2-methyl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-thiadiazole is Cc1nnc(CN2CCC[C@H]2c2ncn[nH]2)s1.
What is the InChIKey of 2-methyl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-thiadiazole?
The InChIKey is FTJPLLZCLWYQDK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N6S/c1-7-13-14-9(17-7)5-16-4-2-3-8(16)10-11-6-12-15-10/h6,8H,2-5H2,1H3,(H,11,12,15)/t8-/m0/s1.
What are the key properties of 2-methyl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-thiadiazole?
2-methyl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-thiadiazole has a molecular weight of 250.33 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 136585671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).