[(4R)-3-methyl-1,3-thiazolidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone

C13H22N6OS — CID 72901974

IUPAC[(4R)-3-methyl-1,3-thiazolidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCN1CSC[C@H]1C(=O)N1CCN(CCn2cncn2)CC1
InChIInChI=1S/C13H22N6OS/c1-16-11-21-8-12(16)13(20)18-5-2-17(3-6-18)4-7-19-10-14-9-15-19/h9-10,12H,2-8,11H2,1H3/t12-/m0/s1
InChIKeyGHWMGNSFYASUBA-LBPRGKRZSA-N
MW310.43 g/mol
LogP-0.57
Rot. Bonds4

About [(4R)-3-methyl-1,3-thiazolidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone

[(4R)-3-methyl-1,3-thiazolidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 72901974) has the molecular formula C13H22N6OS and a molecular weight of 310.43 g/mol. Its IUPAC name is [(4R)-3-methyl-1,3-thiazolidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(4R)-3-methyl-1,3-thiazolidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
PubChem CID72901974
Molecular FormulaC13H22N6OS
Molecular Weight310.43 g/mol
Exact Mass310.16
IUPAC Name[(4R)-3-methyl-1,3-thiazolidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCN1CSC[C@H]1C(=O)N1CCN(CCn2cncn2)CC1
InChIInChI=1S/C13H22N6OS/c1-16-11-21-8-12(16)13(20)18-5-2-17(3-6-18)4-7-19-10-14-9-15-19/h9-10,12H,2-8,11H2,1H3/t12-/m0/s1
InChIKeyGHWMGNSFYASUBA-LBPRGKRZSA-N
XLogP-0.57
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

1-(4-Propan-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53500648
1-(4-Acetylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53525550
1-Pyrrolidin-1-yl-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 56781102
1-(2,4-Dimethylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 71877432
3-[2-(1,2,4-Triazol-1-yl)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43211283
1-(4-Ethylsulfonylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 49618652
1-(4-Methylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53504972
1-Thiomorpholin-4-yl-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53504986
tert-butyl (4S)-4-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine-4-carbonyl)-1,3-thiazolidine-3-carboxylate
CID 53599703
2-Butylsulfanyl-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 53606415
1-[4-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine-4-carbonyl)-1,3-thiazolidin-3-yl]-3,3-dimethylbutan-1-one
CID 53610603
2-Ethyl-3-[2-(1,2,4-triazol-1-yl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 55236868

Frequently Asked Questions

What is the IUPAC name of [(4R)-3-methyl-1,3-thiazolidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of [(4R)-3-methyl-1,3-thiazolidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone (CID 72901974) is [(4R)-3-methyl-1,3-thiazolidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for [(4R)-3-methyl-1,3-thiazolidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for [(4R)-3-methyl-1,3-thiazolidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone is CN1CSC[C@H]1C(=O)N1CCN(CCn2cncn2)CC1.
What is the InChIKey of [(4R)-3-methyl-1,3-thiazolidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is GHWMGNSFYASUBA-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N6OS/c1-16-11-21-8-12(16)13(20)18-5-2-17(3-6-18)4-7-19-10-14-9-15-19/h9-10,12H,2-8,11H2,1H3/t12-/m0/s1.
What are the key properties of [(4R)-3-methyl-1,3-thiazolidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone?
[(4R)-3-methyl-1,3-thiazolidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 310.43 g/mol, XLogP of -0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-3-methyl-1,3-thiazolidin-4-yl]-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 72901974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).