2-tert-butyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide

C19H24N4O2S — CID 47724081

IUPAC2-tert-butyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)s1
InChIInChI=1S/C19H24N4O2S/c1-19(2,3)18-22-11-15(26-18)17(25)21-10-13-4-6-14(7-5-13)23-9-8-20-16(24)12-23/h4-7,11H,8-10,12H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyMHTOCWNVOKQIIO-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.31
Rot. Bonds4

About 2-tert-butyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 47724081) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-tert-butyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID47724081
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name2-tert-butyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)s1
InChIInChI=1S/C19H24N4O2S/c1-19(2,3)18-22-11-15(26-18)17(25)21-10-13-4-6-14(7-5-13)23-9-8-20-16(24)12-23/h4-7,11H,8-10,12H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyMHTOCWNVOKQIIO-UHFFFAOYSA-N
XLogP2.31
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-tert-butyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 55681366
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]urea
CID 53498310
5-chloro-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 47047182
2-benzyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]benzamide
CID 55664223
1-benzyl-2-methyl-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]guanidine
CID 110954064
1-(2-hydroxyethyl)-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]urea
CID 51083442
1-(2-chlorophenyl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 49160499
(2S)-2-acetamido-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]propanamide
CID 95766756
1-(4-chlorophenyl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46480448
2-benzyl-1-ethyl-3-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]guanidine
CID 110954066
4-[4-[(propan-2-ylamino)methyl]phenyl]piperazin-2-one
CID 43281162
3-methoxy-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46462146

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 47724081) is 2-tert-butyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide is CC(C)(C)c1ncc(C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)s1.
What is the InChIKey of 2-tert-butyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is MHTOCWNVOKQIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-19(2,3)18-22-11-15(26-18)17(25)21-10-13-4-6-14(7-5-13)23-9-8-20-16(24)12-23/h4-7,11H,8-10,12H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of 2-tert-butyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47724081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).