[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone

C18H27N5O2S — CID 11632256

IUPAC[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
SMILESCc1csc(N2CCN(C(=O)[C@@H]3CN[C@H](C(=O)N4CCCC4)C3)CC2)n1
InChIInChI=1S/C18H27N5O2S/c1-13-12-26-18(20-13)23-8-6-22(7-9-23)16(24)14-10-15(19-11-14)17(25)21-4-2-3-5-21/h12,14-15,19H,2-11H2,1H3/t14-,15-/m0/s1
InChIKeyQOKSEPRQIMJQDD-GJZGRUSLSA-N
MW377.51 g/mol
LogP0.70
Rot. Bonds3

About [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone

[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone (PubChem CID 11632256) has the molecular formula C18H27N5O2S and a molecular weight of 377.51 g/mol. Its IUPAC name is [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
PubChem CID11632256
Molecular FormulaC18H27N5O2S
Molecular Weight377.51 g/mol
Exact Mass377.19
IUPAC Name[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone
SMILESCc1csc(N2CCN(C(=O)[C@@H]3CN[C@H](C(=O)N4CCCC4)C3)CC2)n1
InChIInChI=1S/C18H27N5O2S/c1-13-12-26-18(20-13)23-8-6-22(7-9-23)16(24)14-10-15(19-11-14)17(25)21-4-2-3-5-21/h12,14-15,19H,2-11H2,1H3/t14-,15-/m0/s1
InChIKeyQOKSEPRQIMJQDD-GJZGRUSLSA-N
XLogP0.70
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone?
The IUPAC name of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone (CID 11632256) is [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone is Cc1csc(N2CCN(C(=O)[C@@H]3CN[C@H](C(=O)N4CCCC4)C3)CC2)n1.
What is the InChIKey of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone?
The InChIKey is QOKSEPRQIMJQDD-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H27N5O2S/c1-13-12-26-18(20-13)23-8-6-22(7-9-23)16(24)14-10-15(19-11-14)17(25)21-4-2-3-5-21/h12,14-15,19H,2-11H2,1H3/t14-,15-/m0/s1.
What are the key properties of [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone?
[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone has a molecular weight of 377.51 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 11632256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).