N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

C26H25N3O2S — CID 35541680

IUPACN-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCCc1ccc(CN(Cc2cccnc2)C(=O)c2csc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C26H25N3O2S/c1-3-19-6-8-20(9-7-19)16-29(17-21-5-4-14-27-15-21)26(30)24-18-32-25(28-24)22-10-12-23(31-2)13-11-22/h4-15,18H,3,16-17H2,1-2H3
InChIKeySUJIBVMVZHXOSF-UHFFFAOYSA-N
MW443.57 g/mol
LogP5.62
Rot. Bonds8

About N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide

N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 35541680) has the molecular formula C26H25N3O2S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID35541680
Molecular FormulaC26H25N3O2S
Molecular Weight443.57 g/mol
Exact Mass443.17
IUPAC NameN-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCCc1ccc(CN(Cc2cccnc2)C(=O)c2csc(-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C26H25N3O2S/c1-3-19-6-8-20(9-7-19)16-29(17-21-5-4-14-27-15-21)26(30)24-18-32-25(28-24)22-10-12-23(31-2)13-11-22/h4-15,18H,3,16-17H2,1-2H3
InChIKeySUJIBVMVZHXOSF-UHFFFAOYSA-N
XLogP5.62
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.57
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 86824224
N-benzyl-N-ethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110648241
N-benzyl-2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 24609849
2-(furan-2-yl)-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 99186712
pyridin-3-ylmethyl 2-(4-propoxyphenyl)-1,3-thiazole-4-carboxylate
CID 166205252
N,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42866037
N-[[4-[4-[(cycloheptylamino)methyl]phenyl]phenyl]methyl]-4-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 139943894
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)thiadiazole-4-carboxamide
CID 42796243
2-(4-methoxyphenyl)-N-methyl-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 55710289
N-[(4-ethylphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 99146934
2-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 51256063

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 35541680) is N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is CCc1ccc(CN(Cc2cccnc2)C(=O)c2csc(-c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is SUJIBVMVZHXOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2S/c1-3-19-6-8-20(9-7-19)16-29(17-21-5-4-14-27-15-21)26(30)24-18-32-25(28-24)22-10-12-23(31-2)13-11-22/h4-15,18H,3,16-17H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 35541680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).