N-tert-butyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide

C19H26N4OS — CID 30463914

IUPACN-tert-butyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C19H26N4OS/c1-19(2,3)21-18(24)23-11-9-22(10-12-23)13-17-20-16(14-25-17)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3,(H,21,24)
InChIKeyPDUIHFPXAKUEGD-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.44
Rot. Bonds3

About N-tert-butyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide

N-tert-butyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 30463914) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is N-tert-butyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
PubChem CID30463914
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC NameN-tert-butyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C19H26N4OS/c1-19(2,3)21-18(24)23-11-9-22(10-12-23)13-17-20-16(14-25-17)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3,(H,21,24)
InChIKeyPDUIHFPXAKUEGD-UHFFFAOYSA-N
XLogP3.44
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30868826
N-(3,4-dimethylphenyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30463955
N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30463976
1-(azepan-1-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 30485899
2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-4-phenyl-1,3-thiazole;methane
CID 158416700
N-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30463998
N-phenyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30464344
N-benzhydryl-4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30464237
N-propan-2-yl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30464372
N-ethyl-4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30868820
4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 30464037
2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 30485889

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide (CID 30463914) is N-tert-butyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide is CC(C)(C)NC(=O)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of N-tert-butyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is PDUIHFPXAKUEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-19(2,3)21-18(24)23-11-9-22(10-12-23)13-17-20-16(14-25-17)15-7-5-4-6-8-15/h4-8,14H,9-13H2,1-3H3,(H,21,24).
What are the key properties of N-tert-butyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
N-tert-butyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 30463914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).