[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

C14H22N4OS — CID 65168510

IUPAC[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCc1nc(N2CCCC2C(=O)N2CCNCC2)sc1C
InChIInChI=1S/C14H22N4OS/c1-10-11(2)20-14(16-10)18-7-3-4-12(18)13(19)17-8-5-15-6-9-17/h12,15H,3-9H2,1-2H3
InChIKeyNEPTYEHWCBSYBT-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.16
Rot. Bonds2

About [1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (PubChem CID 65168510) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is [1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
PubChem CID65168510
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCc1nc(N2CCCC2C(=O)N2CCNCC2)sc1C
InChIInChI=1S/C14H22N4OS/c1-10-11(2)20-14(16-10)18-7-3-4-12(18)13(19)17-8-5-15-6-9-17/h12,15H,3-9H2,1-2H3
InChIKeyNEPTYEHWCBSYBT-UHFFFAOYSA-N
XLogP1.16
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (CID 65168510) is [1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is Cc1nc(N2CCCC2C(=O)N2CCNCC2)sc1C.
What is the InChIKey of [1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is NEPTYEHWCBSYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-10-11(2)20-14(16-10)18-7-3-4-12(18)13(19)17-8-5-15-6-9-17/h12,15H,3-9H2,1-2H3.
What are the key properties of [1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 294.42 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 65168510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).