N-(4-propan-2-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide

C20H21N3OS — CID 23644838

IUPACN-(4-propan-2-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2scnc2CCc2ccncc2)cc1
InChIInChI=1S/C20H21N3OS/c1-14(2)16-4-6-17(7-5-16)23-20(24)19-18(22-13-25-19)8-3-15-9-11-21-12-10-15/h4-7,9-14H,3,8H2,1-2H3,(H,23,24)
InChIKeyCRENDBZETJAMRD-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.70
Rot. Bonds6

About N-(4-propan-2-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide

N-(4-propan-2-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 23644838) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID23644838
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-(4-propan-2-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2scnc2CCc2ccncc2)cc1
InChIInChI=1S/C20H21N3OS/c1-14(2)16-4-6-17(7-5-16)23-20(24)19-18(22-13-25-19)8-3-15-9-11-21-12-10-15/h4-7,9-14H,3,8H2,1-2H3,(H,23,24)
InChIKeyCRENDBZETJAMRD-UHFFFAOYSA-N
XLogP4.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (CID 23644838) is N-(4-propan-2-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is CC(C)c1ccc(NC(=O)c2scnc2CCc2ccncc2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CRENDBZETJAMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-14(2)16-4-6-17(7-5-16)23-20(24)19-18(22-13-25-19)8-3-15-9-11-21-12-10-15/h4-7,9-14H,3,8H2,1-2H3,(H,23,24).
What are the key properties of N-(4-propan-2-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
N-(4-propan-2-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 23644838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).