N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

C23H27N5OS — CID 42947830

IUPACN-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCCCc1ccc(-c2nc(NC(=O)C3CCCN(c4ncccn4)C3)sc2C)cc1
InChIInChI=1S/C23H27N5OS/c1-3-6-17-8-10-18(11-9-17)20-16(2)30-23(26-20)27-21(29)19-7-4-14-28(15-19)22-24-12-5-13-25-22/h5,8-13,19H,3-4,6-7,14-15H2,1-2H3,(H,26,27,29)
InChIKeyCYVZUORHMIOYHG-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.72
Rot. Bonds6

About N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 42947830) has the molecular formula C23H27N5OS and a molecular weight of 421.57 g/mol. Its IUPAC name is N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID42947830
Molecular FormulaC23H27N5OS
Molecular Weight421.57 g/mol
Exact Mass421.19
IUPAC NameN-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCCCc1ccc(-c2nc(NC(=O)C3CCCN(c4ncccn4)C3)sc2C)cc1
InChIInChI=1S/C23H27N5OS/c1-3-6-17-8-10-18(11-9-17)20-16(2)30-23(26-20)27-21(29)19-7-4-14-28(15-19)22-24-12-5-13-25-22/h5,8-13,19H,3-4,6-7,14-15H2,1-2H3,(H,26,27,29)
InChIKeyCYVZUORHMIOYHG-UHFFFAOYSA-N
XLogP4.72
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 42947830) is N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is CCCc1ccc(-c2nc(NC(=O)C3CCCN(c4ncccn4)C3)sc2C)cc1.
What is the InChIKey of N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is CYVZUORHMIOYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5OS/c1-3-6-17-8-10-18(11-9-17)20-16(2)30-23(26-20)27-21(29)19-7-4-14-28(15-19)22-24-12-5-13-25-22/h5,8-13,19H,3-4,6-7,14-15H2,1-2H3,(H,26,27,29).
What are the key properties of N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 421.57 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 42947830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).