N-(2-methoxy-6-methylphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C27H32N6O3S — CID 3724442

IUPACN-(2-methoxy-6-methylphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(C)c1NC(=O)c1csc(C2CCN(C(=O)N3CCN(c4ccccn4)CC3)CC2)n1
InChIInChI=1S/C27H32N6O3S/c1-19-6-5-7-22(36-2)24(19)30-25(34)21-18-37-26(29-21)20-9-12-32(13-10-20)27(35)33-16-14-31(15-17-33)23-8-3-4-11-28-23/h3-8,11,18,20H,9-10,12-17H2,1-2H3,(H,30,34)
InChIKeyADECVOJVKXBFGD-UHFFFAOYSA-N
MW520.66 g/mol
LogP4.23
Rot. Bonds5

About N-(2-methoxy-6-methylphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-(2-methoxy-6-methylphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 3724442) has the molecular formula C27H32N6O3S and a molecular weight of 520.66 g/mol. Its IUPAC name is N-(2-methoxy-6-methylphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-6-methylphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID3724442
Molecular FormulaC27H32N6O3S
Molecular Weight520.66 g/mol
Exact Mass520.23
IUPAC NameN-(2-methoxy-6-methylphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(C)c1NC(=O)c1csc(C2CCN(C(=O)N3CCN(c4ccccn4)CC3)CC2)n1
InChIInChI=1S/C27H32N6O3S/c1-19-6-5-7-22(36-2)24(19)30-25(34)21-18-37-26(29-21)20-9-12-32(13-10-20)27(35)33-16-14-31(15-17-33)23-8-3-4-11-28-23/h3-8,11,18,20H,9-10,12-17H2,1-2H3,(H,30,34)
InChIKeyADECVOJVKXBFGD-UHFFFAOYSA-N
XLogP4.23
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.66
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N'-(pyridine-2-carbonyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3858168
methyl 1-methyl-4-[[2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]pyrrole-2-carboxylate
CID 3802104
[2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 3814800
N-(2-phenylpyrazol-3-yl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 23822716
N-(2-oxothiolan-3-yl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3394297
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methanone
CID 3483843
N-[3-(2-methylpropoxy)propyl]-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3743422
1,3-dihydrobenzo[de]isoquinolin-2-yl-[2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methanone
CID 3859388
2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 3802383
tert-butyl 2-[methyl-[2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]acetate
CID 3489038
tert-butyl 4-[4-[(pyridine-2-carbonylamino)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 3695799
3-phenyl-1-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-yn-1-one
CID 3825039

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-6-methylphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-methoxy-6-methylphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 3724442) is N-(2-methoxy-6-methylphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-6-methylphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-methoxy-6-methylphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is COc1cccc(C)c1NC(=O)c1csc(C2CCN(C(=O)N3CCN(c4ccccn4)CC3)CC2)n1.
What is the InChIKey of N-(2-methoxy-6-methylphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is ADECVOJVKXBFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3S/c1-19-6-5-7-22(36-2)24(19)30-25(34)21-18-37-26(29-21)20-9-12-32(13-10-20)27(35)33-16-14-31(15-17-33)23-8-3-4-11-28-23/h3-8,11,18,20H,9-10,12-17H2,1-2H3,(H,30,34).
What are the key properties of N-(2-methoxy-6-methylphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-(2-methoxy-6-methylphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 520.66 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-6-methylphenyl)-2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3724442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).