N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide

C22H24N4O3S — CID 647479

IUPACN-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3nc(-c4cccc(OC)c4)cs3)CC2)cc1
InChIInChI=1S/C22H24N4O3S/c1-28-18-8-6-17(7-9-18)23-21(27)25-10-12-26(13-11-25)22-24-20(15-30-22)16-4-3-5-19(14-16)29-2/h3-9,14-15H,10-13H2,1-2H3,(H,23,27)
InChIKeyQBZAATCVTGGOHX-UHFFFAOYSA-N
MW424.53 g/mol
LogP4.18
Rot. Bonds5

About N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide

N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide (PubChem CID 647479) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
PubChem CID647479
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(c3nc(-c4cccc(OC)c4)cs3)CC2)cc1
InChIInChI=1S/C22H24N4O3S/c1-28-18-8-6-17(7-9-18)23-21(27)25-10-12-26(13-11-25)22-24-20(15-30-22)16-4-3-5-19(14-16)29-2/h3-9,14-15H,10-13H2,1-2H3,(H,23,27)
InChIKeyQBZAATCVTGGOHX-UHFFFAOYSA-N
XLogP4.18
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide (CID 647479) is N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3nc(-c4cccc(OC)c4)cs3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The InChIKey is QBZAATCVTGGOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-28-18-8-6-17(7-9-18)23-21(27)25-10-12-26(13-11-25)22-24-20(15-30-22)16-4-3-5-19(14-16)29-2/h3-9,14-15H,10-13H2,1-2H3,(H,23,27).
What are the key properties of N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 647479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).