1-(4-methyl-1,3-thiazol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C22H26N4OS2 — CID 99791504

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(N2CCC(C(=O)Nc3nc(-c4ccccc4)c(C(C)C)s3)CC2)n1
InChIInChI=1S/C22H26N4OS2/c1-14(2)19-18(16-7-5-4-6-8-16)24-21(29-19)25-20(27)17-9-11-26(12-10-17)22-23-15(3)13-28-22/h4-8,13-14,17H,9-12H2,1-3H3,(H,24,25,27)
InChIKeyVZKIRJRAKPAYOV-UHFFFAOYSA-N
MW426.61 g/mol
LogP5.55
Rot. Bonds5

About 1-(4-methyl-1,3-thiazol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide

1-(4-methyl-1,3-thiazol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 99791504) has the molecular formula C22H26N4OS2 and a molecular weight of 426.61 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID99791504
Molecular FormulaC22H26N4OS2
Molecular Weight426.61 g/mol
Exact Mass426.15
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCc1csc(N2CCC(C(=O)Nc3nc(-c4ccccc4)c(C(C)C)s3)CC2)n1
InChIInChI=1S/C22H26N4OS2/c1-14(2)19-18(16-7-5-4-6-8-16)24-21(29-19)25-20(27)17-9-11-26(12-10-17)22-23-15(3)13-28-22/h4-8,13-14,17H,9-12H2,1-3H3,(H,24,25,27)
InChIKeyVZKIRJRAKPAYOV-UHFFFAOYSA-N
XLogP5.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.61
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 99791504) is 1-(4-methyl-1,3-thiazol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide is Cc1csc(N2CCC(C(=O)Nc3nc(-c4ccccc4)c(C(C)C)s3)CC2)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is VZKIRJRAKPAYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS2/c1-14(2)19-18(16-7-5-4-6-8-16)24-21(29-19)25-20(27)17-9-11-26(12-10-17)22-23-15(3)13-28-22/h4-8,13-14,17H,9-12H2,1-3H3,(H,24,25,27).
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-(4-methyl-1,3-thiazol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 426.61 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 99791504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).