N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide

C23H24N2O3S — CID 3170664

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(-c2csc(N(CC3CCCO3)C(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C23H24N2O3S/c1-16-5-7-18(8-6-16)22(26)25(14-20-4-3-13-28-20)23-24-21(15-29-23)17-9-11-19(27-2)12-10-17/h5-12,15,20H,3-4,13-14H2,1-2H3
InChIKeyTWIKSTWKLSKDSY-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.95
Rot. Bonds6

About N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 3170664) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID3170664
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(-c2csc(N(CC3CCCO3)C(=O)c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C23H24N2O3S/c1-16-5-7-18(8-6-16)22(26)25(14-20-4-3-13-28-20)23-24-21(15-29-23)17-9-11-19(27-2)12-10-17/h5-12,15,20H,3-4,13-14H2,1-2H3
InChIKeyTWIKSTWKLSKDSY-UHFFFAOYSA-N
XLogP4.95
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide (CID 3170664) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide is COc1ccc(-c2csc(N(CC3CCCO3)C(=O)c3ccc(C)cc3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is TWIKSTWKLSKDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-16-5-7-18(8-6-16)22(26)25(14-20-4-3-13-28-20)23-24-21(15-29-23)17-9-11-19(27-2)12-10-17/h5-12,15,20H,3-4,13-14H2,1-2H3.
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 408.52 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 3170664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).