[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone

C18H23N5O2S — CID 53200891

IUPAC[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN(c2nc(CN3CCOCC3)cs2)CC1
InChIInChI=1S/C18H23N5O2S/c24-17(15-1-3-19-4-2-15)22-5-7-23(8-6-22)18-20-16(14-26-18)13-21-9-11-25-12-10-21/h1-4,14H,5-13H2
InChIKeyPGGICRZEWYIMKA-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.33
Rot. Bonds4

About [4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone

[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone (PubChem CID 53200891) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is [4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone
PubChem CID53200891
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN(c2nc(CN3CCOCC3)cs2)CC1
InChIInChI=1S/C18H23N5O2S/c24-17(15-1-3-19-4-2-15)22-5-7-23(8-6-22)18-20-16(14-26-18)13-21-9-11-25-12-10-21/h1-4,14H,5-13H2
InChIKeyPGGICRZEWYIMKA-UHFFFAOYSA-N
XLogP1.33
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone (CID 53200891) is [4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCN(c2nc(CN3CCOCC3)cs2)CC1.
What is the InChIKey of [4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is PGGICRZEWYIMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c24-17(15-1-3-19-4-2-15)22-5-7-23(8-6-22)18-20-16(14-26-18)13-21-9-11-25-12-10-21/h1-4,14H,5-13H2.
What are the key properties of [4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone?
[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 373.48 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 53200891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).