4-(4-methyl-1,3-thiazol-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxamide

C19H26N4OS — CID 56800130

IUPAC4-(4-methyl-1,3-thiazol-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1cc(C)c(CNC(=O)N2CCN(c3nc(C)cs3)CC2)c(C)c1
InChIInChI=1S/C19H26N4OS/c1-13-9-14(2)17(15(3)10-13)11-20-18(24)22-5-7-23(8-6-22)19-21-16(4)12-25-19/h9-10,12H,5-8,11H2,1-4H3,(H,20,24)
InChIKeyOKIMNPGSUYOODJ-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.41
Rot. Bonds3

About 4-(4-methyl-1,3-thiazol-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxamide

4-(4-methyl-1,3-thiazol-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 56800130) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 4-(4-methyl-1,3-thiazol-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methyl-1,3-thiazol-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxamide
PubChem CID56800130
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name4-(4-methyl-1,3-thiazol-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1cc(C)c(CNC(=O)N2CCN(c3nc(C)cs3)CC2)c(C)c1
InChIInChI=1S/C19H26N4OS/c1-13-9-14(2)17(15(3)10-13)11-20-18(24)22-5-7-23(8-6-22)19-21-16(4)12-25-19/h9-10,12H,5-8,11H2,1-4H3,(H,20,24)
InChIKeyOKIMNPGSUYOODJ-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methyl-1,3-thiazol-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

methyl 4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxylate
CID 110710922
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 87000376
4-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47193079
4-(hydroxymethyl)-4-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidine-1-carboxamide
CID 86792095
4-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-yl-1,4-diazepane-1-carboxamide
CID 86836952
7-amino-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]heptan-1-one
CID 119851657
N-(5-fluoro-2-pyridinyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 99596550
4-(4-cyano-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 51084077
cyclohexyl-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 110710911
N-(1-methyl-2-oxo-3-pyridinyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 71992047
2-(2-methoxyethylamino)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 119851720
N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113104079

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxamide (CID 56800130) is 4-(4-methyl-1,3-thiazol-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methyl-1,3-thiazol-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-methyl-1,3-thiazol-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxamide is Cc1cc(C)c(CNC(=O)N2CCN(c3nc(C)cs3)CC2)c(C)c1.
What is the InChIKey of 4-(4-methyl-1,3-thiazol-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is OKIMNPGSUYOODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-13-9-14(2)17(15(3)10-13)11-20-18(24)22-5-7-23(8-6-22)19-21-16(4)12-25-19/h9-10,12H,5-8,11H2,1-4H3,(H,20,24).
What are the key properties of 4-(4-methyl-1,3-thiazol-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxamide?
4-(4-methyl-1,3-thiazol-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-thiazol-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 56800130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).