[(2S,4S)-4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone

C19H26N8OS — CID 67507176

IUPAC[(2S,4S)-4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
SMILESO=C([C@@H]1C[C@H](N2CCN(c3nnnn3-c3ccccc3)CC2)CN1)N1CCSC1
InChIInChI=1S/C19H26N8OS/c28-18(26-10-11-29-14-26)17-12-16(13-20-17)24-6-8-25(9-7-24)19-21-22-23-27(19)15-4-2-1-3-5-15/h1-5,16-17,20H,6-14H2/t16-,17-/m0/s1
InChIKeySLEYJVVDOYZMHK-IRXDYDNUSA-N
MW414.54 g/mol
LogP0.05
Rot. Bonds4

About [(2S,4S)-4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone

[(2S,4S)-4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone (PubChem CID 67507176) has the molecular formula C19H26N8OS and a molecular weight of 414.54 g/mol. Its IUPAC name is [(2S,4S)-4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name[(2S,4S)-4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
PubChem CID67507176
Molecular FormulaC19H26N8OS
Molecular Weight414.54 g/mol
Exact Mass414.20
IUPAC Name[(2S,4S)-4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
SMILESO=C([C@@H]1C[C@H](N2CCN(c3nnnn3-c3ccccc3)CC2)CN1)N1CCSC1
InChIInChI=1S/C19H26N8OS/c28-18(26-10-11-29-14-26)17-12-16(13-20-17)24-6-8-25(9-7-24)19-21-22-23-27(19)15-4-2-1-3-5-15/h1-5,16-17,20H,6-14H2/t16-,17-/m0/s1
InChIKeySLEYJVVDOYZMHK-IRXDYDNUSA-N
XLogP0.05
TPSA82.42 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.54
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
The IUPAC name of [(2S,4S)-4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone (CID 67507176) is [(2S,4S)-4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for [(2S,4S)-4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for [(2S,4S)-4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone is O=C([C@@H]1C[C@H](N2CCN(c3nnnn3-c3ccccc3)CC2)CN1)N1CCSC1.
What is the InChIKey of [(2S,4S)-4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
The InChIKey is SLEYJVVDOYZMHK-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H26N8OS/c28-18(26-10-11-29-14-26)17-12-16(13-20-17)24-6-8-25(9-7-24)19-21-22-23-27(19)15-4-2-1-3-5-15/h1-5,16-17,20H,6-14H2/t16-,17-/m0/s1.
What are the key properties of [(2S,4S)-4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone?
[(2S,4S)-4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone has a molecular weight of 414.54 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 67507176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).