N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-cyclopropyl-1,3-thiazole-5-carboxamide

C22H29N3OS — CID 86891667

IUPACN-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-cyclopropyl-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ccc(N2CCC(NC(=O)c3cnc(C4CC4)s3)CC2)cc1
InChIInChI=1S/C22H29N3OS/c1-22(2,3)16-6-8-18(9-7-16)25-12-10-17(11-13-25)24-20(26)19-14-23-21(27-19)15-4-5-15/h6-9,14-15,17H,4-5,10-13H2,1-3H3,(H,24,26)
InChIKeyQRJBHQNCINMTQH-UHFFFAOYSA-N
MW383.56 g/mol
LogP4.72
Rot. Bonds4

About N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-cyclopropyl-1,3-thiazole-5-carboxamide

N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-cyclopropyl-1,3-thiazole-5-carboxamide (PubChem CID 86891667) has the molecular formula C22H29N3OS and a molecular weight of 383.56 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-cyclopropyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-cyclopropyl-1,3-thiazole-5-carboxamide
PubChem CID86891667
Molecular FormulaC22H29N3OS
Molecular Weight383.56 g/mol
Exact Mass383.20
IUPAC NameN-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-cyclopropyl-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ccc(N2CCC(NC(=O)c3cnc(C4CC4)s3)CC2)cc1
InChIInChI=1S/C22H29N3OS/c1-22(2,3)16-6-8-18(9-7-16)25-12-10-17(11-13-25)24-20(26)19-14-23-21(27-19)15-4-5-15/h6-9,14-15,17H,4-5,10-13H2,1-3H3,(H,24,26)
InChIKeyQRJBHQNCINMTQH-UHFFFAOYSA-N
XLogP4.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-cyclopropyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-cyclopropyl-1,3-thiazole-5-carboxamide (CID 86891667) is N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-cyclopropyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-cyclopropyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-cyclopropyl-1,3-thiazole-5-carboxamide is CC(C)(C)c1ccc(N2CCC(NC(=O)c3cnc(C4CC4)s3)CC2)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-cyclopropyl-1,3-thiazole-5-carboxamide?
The InChIKey is QRJBHQNCINMTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3OS/c1-22(2,3)16-6-8-18(9-7-16)25-12-10-17(11-13-25)24-20(26)19-14-23-21(27-19)15-4-5-15/h6-9,14-15,17H,4-5,10-13H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-cyclopropyl-1,3-thiazole-5-carboxamide?
N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-cyclopropyl-1,3-thiazole-5-carboxamide has a molecular weight of 383.56 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)piperidin-4-yl]-2-cyclopropyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86891667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).