4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide

C16H22N4O2S — CID 71967644

IUPAC4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
SMILESCc1nc(N2CCN(C(=O)NCc3ccoc3C)CC2)sc1C
InChIInChI=1S/C16H22N4O2S/c1-11-13(3)23-16(18-11)20-7-5-19(6-8-20)15(21)17-10-14-4-9-22-12(14)2/h4,9H,5-8,10H2,1-3H3,(H,17,21)
InChIKeyBCYUEBIAMMCZRR-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.69
Rot. Bonds3

About 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide

4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 71967644) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
PubChem CID71967644
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
SMILESCc1nc(N2CCN(C(=O)NCc3ccoc3C)CC2)sc1C
InChIInChI=1S/C16H22N4O2S/c1-11-13(3)23-16(18-11)20-7-5-19(6-8-20)15(21)17-10-14-4-9-22-12(14)2/h4,9H,5-8,10H2,1-3H3,(H,17,21)
InChIKeyBCYUEBIAMMCZRR-UHFFFAOYSA-N
XLogP2.69
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-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

4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]piperazine-1-carboxamide
CID 71910353
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazine-1-carboxamide
CID 154751107
4-(4-methoxypyrimidin-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
CID 56826138
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2S)-2-methylsulfanylpropyl]piperazine-1-carboxamide
CID 97241639
4-(2-ethoxyphenyl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide
CID 60569814
N-(4,5-dimethyl-1,3-oxazol-2-yl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 71844308
1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110710972
(3R)-3-[[ethyl(methyl)amino]methyl]-N-[(2-methylfuran-3-yl)methyl]pyrrolidine-1-carboxamide
CID 97099166
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 110741653
4-(4-methyl-1,3-thiazol-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]piperazine-1-carboxamide
CID 56800130
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 136529148
4-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 71870648

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide (CID 71967644) is 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide is Cc1nc(N2CCN(C(=O)NCc3ccoc3C)CC2)sc1C.
What is the InChIKey of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide?
The InChIKey is BCYUEBIAMMCZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-11-13(3)23-16(18-11)20-7-5-19(6-8-20)15(21)17-10-14-4-9-22-12(14)2/h4,9H,5-8,10H2,1-3H3,(H,17,21).
What are the key properties of 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide?
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(2-methylfuran-3-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 71967644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).