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

C15H24N4O2S — CID 56894005

IUPAC1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-morpholin-3-ylethanone
SMILESCc1nc(CN2CCN(C(=O)CC3COCCN3)CC2)cs1
InChIInChI=1S/C15H24N4O2S/c1-12-17-14(11-22-12)9-18-3-5-19(6-4-18)15(20)8-13-10-21-7-2-16-13/h11,13,16H,2-10H2,1H3
InChIKeyWPPQDVNUVDOCNA-UHFFFAOYSA-N
MW324.45 g/mol
LogP0.47
Rot. Bonds4

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

1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-morpholin-3-ylethanone (PubChem CID 56894005) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-morpholin-3-ylethanone.

Molecular Properties

Compound Name1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-morpholin-3-ylethanone
PubChem CID56894005
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-morpholin-3-ylethanone
SMILESCc1nc(CN2CCN(C(=O)CC3COCCN3)CC2)cs1
InChIInChI=1S/C15H24N4O2S/c1-12-17-14(11-22-12)9-18-3-5-19(6-4-18)15(20)8-13-10-21-7-2-16-13/h11,13,16H,2-10H2,1H3
InChIKeyWPPQDVNUVDOCNA-UHFFFAOYSA-N
XLogP0.47
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-morpholin-3-ylethanone with MolForge

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-{2-[(2-methoxy-ethylamino)-methyl]-thiazol-4-yl}-methanone
CID 11558917
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 94025992
N-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]morpholine-4-carboxamide
CID 122155586
(4S)-4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 125448023
N-[(3S,4S)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]oxane-4-carboxamide
CID 164636447
1-[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2,2-difluoro-3-morpholin-4-ylpropane-1,3-dione
CID 121566535
2-morpholin-3-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide;hydrochloride
CID 121741658
2-morpholin-3-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 121741659
2-morpholin-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide;hydrochloride
CID 121745075
2-morpholin-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide
CID 121745076
N-methyl-2-morpholin-3-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide;hydrochloride
CID 121747310
N-methyl-2-morpholin-3-yl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 121747311

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-morpholin-3-ylethanone?
The IUPAC name of 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-morpholin-3-ylethanone (CID 56894005) is 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-morpholin-3-ylethanone.
What is the SMILES notation for 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-morpholin-3-ylethanone?
The canonical SMILES for 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-morpholin-3-ylethanone is Cc1nc(CN2CCN(C(=O)CC3COCCN3)CC2)cs1.
What is the InChIKey of 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-morpholin-3-ylethanone?
The InChIKey is WPPQDVNUVDOCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-12-17-14(11-22-12)9-18-3-5-19(6-4-18)15(20)8-13-10-21-7-2-16-13/h11,13,16H,2-10H2,1H3.
What are the key properties of 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-morpholin-3-ylethanone?
1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-morpholin-3-ylethanone has a molecular weight of 324.45 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-morpholin-3-ylethanone is sourced from PubChem (CID 56894005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).