4-(furan-2-carbonyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide

C17H22N4O3S — CID 136530407

IUPAC4-(furan-2-carbonyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide
SMILESCc1csc(C(C)CNC(=O)N2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C17H22N4O3S/c1-12(15-19-13(2)11-25-15)10-18-17(23)21-7-5-20(6-8-21)16(22)14-4-3-9-24-14/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,18,23)
InChIKeyLMXABXRTRKEEPE-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.32
Rot. Bonds4

About 4-(furan-2-carbonyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide

4-(furan-2-carbonyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide (PubChem CID 136530407) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide
PubChem CID136530407
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name4-(furan-2-carbonyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide
SMILESCc1csc(C(C)CNC(=O)N2CCN(C(=O)c3ccco3)CC2)n1
InChIInChI=1S/C17H22N4O3S/c1-12(15-19-13(2)11-25-15)10-18-17(23)21-7-5-20(6-8-21)16(22)14-4-3-9-24-14/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,18,23)
InChIKeyLMXABXRTRKEEPE-UHFFFAOYSA-N
XLogP2.32
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 136529148
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119673057
furan-2-yl-[4-[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 112908528
4-(furan-2-carbonyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706346
N-[(E)-2,3-dimethylbut-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108914854
furan-2-yl-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 34470311
4-(furan-2-carbonyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 3830233
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109296759
[4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110854718
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 109131470
N-[2-(2,6-dichlorophenyl)propyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111167209
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide?
The IUPAC name of 4-(furan-2-carbonyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide (CID 136530407) is 4-(furan-2-carbonyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(furan-2-carbonyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(furan-2-carbonyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide is Cc1csc(C(C)CNC(=O)N2CCN(C(=O)c3ccco3)CC2)n1.
What is the InChIKey of 4-(furan-2-carbonyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide?
The InChIKey is LMXABXRTRKEEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-12(15-19-13(2)11-25-15)10-18-17(23)21-7-5-20(6-8-21)16(22)14-4-3-9-24-14/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,18,23).
What are the key properties of 4-(furan-2-carbonyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide?
4-(furan-2-carbonyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 136530407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).