N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-piperazin-1-ylacetamide

C18H25N5O2S — CID 54167423

IUPACN-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-piperazin-1-ylacetamide
SMILESCC(C)(C)c1cnc(C=Cc2cnc(NC(=O)CN3CCNCC3)s2)o1
InChIInChI=1S/C18H25N5O2S/c1-18(2,3)14-11-20-16(25-14)5-4-13-10-21-17(26-13)22-15(24)12-23-8-6-19-7-9-23/h4-5,10-11,19H,6-9,12H2,1-3H3,(H,21,22,24)
InChIKeyOSQHSLNKZLRMGZ-UHFFFAOYSA-N
MW375.50 g/mol
LogP2.44
Rot. Bonds5

About N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-piperazin-1-ylacetamide

N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-piperazin-1-ylacetamide (PubChem CID 54167423) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-piperazin-1-ylacetamide
PubChem CID54167423
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC NameN-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-piperazin-1-ylacetamide
SMILESCC(C)(C)c1cnc(C=Cc2cnc(NC(=O)CN3CCNCC3)s2)o1
InChIInChI=1S/C18H25N5O2S/c1-18(2,3)14-11-20-16(25-14)5-4-13-10-21-17(26-13)22-15(24)12-23-8-6-19-7-9-23/h4-5,10-11,19H,6-9,12H2,1-3H3,(H,21,22,24)
InChIKeyOSQHSLNKZLRMGZ-UHFFFAOYSA-N
XLogP2.44
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-piperazin-1-yl-N-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide
CID 11474814
N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide
CID 57313431
N-[5-[(Z)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-pyridin-3-ylacetamide
CID 59921767
1-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea
CID 59921739
1-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-pyridin-2-ylurea
CID 72596573
1-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-(4-cyanophenyl)urea
CID 72596577
1-[5-[(E)-2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]urea
CID 59921783
3-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-1-cyclohexyl-1-methylurea
CID 54565840
N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-[4-[2-(diethylamino)ethoxy]phenyl]acetamide
CID 57160436
1-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-3-(1,1,3-trioxo-1,2-benzothiazol-6-yl)urea
CID 72596586
2-[(E)-2-(2-bromo-1,3-thiazol-5-yl)ethenyl]-5-tert-butyl-1,3-oxazole
CID 22731087
2-imidazol-1-yl-N-[5-[(E)-2-[5-(2-methylpropyl)-1,3-oxazol-2-yl]ethenyl]-1,3-thiazol-2-yl]acetamide
CID 87884819

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-piperazin-1-ylacetamide?
The IUPAC name of N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-piperazin-1-ylacetamide (CID 54167423) is N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-piperazin-1-ylacetamide?
The canonical SMILES for N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-piperazin-1-ylacetamide is CC(C)(C)c1cnc(C=Cc2cnc(NC(=O)CN3CCNCC3)s2)o1.
What is the InChIKey of N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-piperazin-1-ylacetamide?
The InChIKey is OSQHSLNKZLRMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-18(2,3)14-11-20-16(25-14)5-4-13-10-21-17(26-13)22-15(24)12-23-8-6-19-7-9-23/h4-5,10-11,19H,6-9,12H2,1-3H3,(H,21,22,24).
What are the key properties of N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-piperazin-1-ylacetamide?
N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-piperazin-1-ylacetamide has a molecular weight of 375.50 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(5-tert-butyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]-2-piperazin-1-ylacetamide is sourced from PubChem (CID 54167423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).