2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide

C21H24N4O3S2 — CID 23823734

IUPAC2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2csc(C3CCN(C(=O)c4sc(C)nc4C)CC3)n2)o1
InChIInChI=1S/C21H24N4O3S2/c1-12-4-5-16(28-12)10-22-19(26)17-11-29-20(24-17)15-6-8-25(9-7-15)21(27)18-13(2)23-14(3)30-18/h4-5,11,15H,6-10H2,1-3H3,(H,22,26)
InChIKeyKZEAWJLNFYYVCQ-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.07
Rot. Bonds5

About 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide

2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 23823734) has the molecular formula C21H24N4O3S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID23823734
Molecular FormulaC21H24N4O3S2
Molecular Weight444.58 g/mol
Exact Mass444.13
IUPAC Name2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(CNC(=O)c2csc(C3CCN(C(=O)c4sc(C)nc4C)CC3)n2)o1
InChIInChI=1S/C21H24N4O3S2/c1-12-4-5-16(28-12)10-22-19(26)17-11-29-20(24-17)15-6-8-25(9-7-15)21(27)18-13(2)23-14(3)30-18/h4-5,11,15H,6-10H2,1-3H3,(H,22,26)
InChIKeyKZEAWJLNFYYVCQ-UHFFFAOYSA-N
XLogP4.07
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 23733281
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 4656708
N-(5-chloro-1,3-thiazol-2-yl)-2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 23825748
N-(1,3-benzothiazol-2-yl)-2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3751573
benzyl 2-[[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]propanoate
CID 4584766
N-(4,5-dicyano-1H-imidazol-2-yl)-2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3298570
N-(5-carbamoyl-1H-imidazol-4-yl)-2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 23770172
N'-[2-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-2,4-dimethyl-1,3-thiazole-5-carbohydrazide
CID 3825262
(2,4-dimethyl-1,3-thiazol-5-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581415
methyl 2-[[2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate
CID 4678083
4-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-2,4-dicarboxamide
CID 53158295
N-[(5-methylfuran-2-yl)methyl]-2-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53036732

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide (CID 23823734) is 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide is Cc1ccc(CNC(=O)c2csc(C3CCN(C(=O)c4sc(C)nc4C)CC3)n2)o1.
What is the InChIKey of 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KZEAWJLNFYYVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S2/c1-12-4-5-16(28-12)10-22-19(26)17-11-29-20(24-17)15-6-8-25(9-7-15)21(27)18-13(2)23-14(3)30-18/h4-5,11,15H,6-10H2,1-3H3,(H,22,26).
What are the key properties of 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide?
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 23823734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).