N-(4-tert-butylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide

C21H23N3OS — CID 11617549

IUPACN-(4-tert-butylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2scnc2CCc2ccncc2)cc1
InChIInChI=1S/C21H23N3OS/c1-21(2,3)16-5-7-17(8-6-16)24-20(25)19-18(23-14-26-19)9-4-15-10-12-22-13-11-15/h5-8,10-14H,4,9H2,1-3H3,(H,24,25)
InChIKeyLDIWKOWDWDYZMW-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.87
Rot. Bonds5

About N-(4-tert-butylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide

N-(4-tert-butylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 11617549) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID11617549
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC NameN-(4-tert-butylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2scnc2CCc2ccncc2)cc1
InChIInChI=1S/C21H23N3OS/c1-21(2,3)16-5-7-17(8-6-16)24-20(25)19-18(23-14-26-19)9-4-15-10-12-22-13-11-15/h5-8,10-14H,4,9H2,1-3H3,(H,24,25)
InChIKeyLDIWKOWDWDYZMW-UHFFFAOYSA-N
XLogP4.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (CID 11617549) is N-(4-tert-butylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is CC(C)(C)c1ccc(NC(=O)c2scnc2CCc2ccncc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is LDIWKOWDWDYZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-21(2,3)16-5-7-17(8-6-16)24-20(25)19-18(23-14-26-19)9-4-15-10-12-22-13-11-15/h5-8,10-14H,4,9H2,1-3H3,(H,24,25).
What are the key properties of N-(4-tert-butylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
N-(4-tert-butylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11617549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).