2-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide

C17H22N4O3S — CID 131937981

IUPAC2-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCCN(c3nc(C(N)=O)cs3)C2)c(C)o1
InChIInChI=1S/C17H22N4O3S/c1-10-6-13(11(2)24-10)16(23)19-7-12-4-3-5-21(8-12)17-20-14(9-25-17)15(18)22/h6,9,12H,3-5,7-8H2,1-2H3,(H2,18,22)(H,19,23)
InChIKeyIDJFMTWRPBNMMK-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.10
Rot. Bonds5

About 2-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide

2-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 131937981) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID131937981
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name2-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCCN(c3nc(C(N)=O)cs3)C2)c(C)o1
InChIInChI=1S/C17H22N4O3S/c1-10-6-13(11(2)24-10)16(23)19-7-12-4-3-5-21(8-12)17-20-14(9-25-17)15(18)22/h6,9,12H,3-5,7-8H2,1-2H3,(H2,18,22)(H,19,23)
InChIKeyIDJFMTWRPBNMMK-UHFFFAOYSA-N
XLogP2.10
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-aminocyclohexyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 106124578
2-pyrrolidin-1-yl-1,3-thiazole-4-carboxamide
CID 131092459
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 110907232
2,5-dimethyl-N-(piperidin-4-ylmethyl)furan-3-carboxamide
CID 60725294
ethyl 2-(4-ethylazepan-1-yl)-1,3-thiazole-4-carboxylate
CID 80569559
2-[2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373092
2-[(3S)-3-(3,4-dimethoxybenzoyl)piperidin-1-yl]-1,3-thiazole-4-carboxamide
CID 95551992
N-[(3-bromocyclopentyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 106128022
2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxamide
CID 22242781
N-(3-cyclohexylpropyl)-2,5-dimethylfuran-3-carboxamide
CID 78866046
2-[(2S,6S)-2-cyclopropyl-6-methylmorpholin-4-yl]-1,3-thiazole-4-carboxamide
CID 125143689
4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63241227

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide (CID 131937981) is 2-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide is Cc1cc(C(=O)NCC2CCCN(c3nc(C(N)=O)cs3)C2)c(C)o1.
What is the InChIKey of 2-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is IDJFMTWRPBNMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-10-6-13(11(2)24-10)16(23)19-7-12-4-3-5-21(8-12)17-20-14(9-25-17)15(18)22/h6,9,12H,3-5,7-8H2,1-2H3,(H2,18,22)(H,19,23).
What are the key properties of 2-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide?
2-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2,5-dimethylfuran-3-carbonyl)amino]methyl]piperidin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 131937981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).