(5-cyclopropyl-1,3-thiazol-4-yl)-(4-methoxypiperazin-1-yl)methanone

C12H17N3O2S — CID 138054795

IUPAC(5-cyclopropyl-1,3-thiazol-4-yl)-(4-methoxypiperazin-1-yl)methanone
SMILESCON1CCN(C(=O)c2ncsc2C2CC2)CC1
InChIInChI=1S/C12H17N3O2S/c1-17-15-6-4-14(5-7-15)12(16)10-11(9-2-3-9)18-8-13-10/h8-9H,2-7H2,1H3
InChIKeyPRCNYBRXBCNVBL-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.34
Rot. Bonds3

About (5-cyclopropyl-1,3-thiazol-4-yl)-(4-methoxypiperazin-1-yl)methanone

(5-cyclopropyl-1,3-thiazol-4-yl)-(4-methoxypiperazin-1-yl)methanone (PubChem CID 138054795) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is (5-cyclopropyl-1,3-thiazol-4-yl)-(4-methoxypiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,3-thiazol-4-yl)-(4-methoxypiperazin-1-yl)methanone
PubChem CID138054795
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name(5-cyclopropyl-1,3-thiazol-4-yl)-(4-methoxypiperazin-1-yl)methanone
SMILESCON1CCN(C(=O)c2ncsc2C2CC2)CC1
InChIInChI=1S/C12H17N3O2S/c1-17-15-6-4-14(5-7-15)12(16)10-11(9-2-3-9)18-8-13-10/h8-9H,2-7H2,1H3
InChIKeyPRCNYBRXBCNVBL-UHFFFAOYSA-N
XLogP1.34
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,3-thiazol-4-yl)-(4-methoxypiperazin-1-yl)methanone?
The IUPAC name of (5-cyclopropyl-1,3-thiazol-4-yl)-(4-methoxypiperazin-1-yl)methanone (CID 138054795) is (5-cyclopropyl-1,3-thiazol-4-yl)-(4-methoxypiperazin-1-yl)methanone.
What is the SMILES notation for (5-cyclopropyl-1,3-thiazol-4-yl)-(4-methoxypiperazin-1-yl)methanone?
The canonical SMILES for (5-cyclopropyl-1,3-thiazol-4-yl)-(4-methoxypiperazin-1-yl)methanone is CON1CCN(C(=O)c2ncsc2C2CC2)CC1.
What is the InChIKey of (5-cyclopropyl-1,3-thiazol-4-yl)-(4-methoxypiperazin-1-yl)methanone?
The InChIKey is PRCNYBRXBCNVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-17-15-6-4-14(5-7-15)12(16)10-11(9-2-3-9)18-8-13-10/h8-9H,2-7H2,1H3.
What are the key properties of (5-cyclopropyl-1,3-thiazol-4-yl)-(4-methoxypiperazin-1-yl)methanone?
(5-cyclopropyl-1,3-thiazol-4-yl)-(4-methoxypiperazin-1-yl)methanone has a molecular weight of 267.35 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,3-thiazol-4-yl)-(4-methoxypiperazin-1-yl)methanone is sourced from PubChem (CID 138054795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).