2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone

C18H30N4O2S — CID 30486238

IUPAC2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCC(C)(C)c1csc(CN2CCN(CC(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C18H30N4O2S/c1-18(2,3)15-14-25-16(19-15)12-20-4-6-21(7-5-20)13-17(23)22-8-10-24-11-9-22/h14H,4-13H2,1-3H3
InChIKeyCOJZUCVRHOJBLY-UHFFFAOYSA-N
MW366.53 g/mol
LogP1.42
Rot. Bonds4

About 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 30486238) has the molecular formula C18H30N4O2S and a molecular weight of 366.53 g/mol. Its IUPAC name is 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID30486238
Molecular FormulaC18H30N4O2S
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC Name2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCC(C)(C)c1csc(CN2CCN(CC(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C18H30N4O2S/c1-18(2,3)15-14-25-16(19-15)12-20-4-6-21(7-5-20)13-17(23)22-8-10-24-11-9-22/h14H,4-13H2,1-3H3
InChIKeyCOJZUCVRHOJBLY-UHFFFAOYSA-N
XLogP1.42
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone (CID 30486238) is 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone is CC(C)(C)c1csc(CN2CCN(CC(=O)N3CCOCC3)CC2)n1.
What is the InChIKey of 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is COJZUCVRHOJBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2S/c1-18(2,3)15-14-25-16(19-15)12-20-4-6-21(7-5-20)13-17(23)22-8-10-24-11-9-22/h14H,4-13H2,1-3H3.
What are the key properties of 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 366.53 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 30486238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).