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

C22H24N4O3S — CID 651034

IUPACN-(2-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
SMILESCOc1cccc(-c2csc(N3CCN(C(=O)Nc4ccccc4OC)CC3)n2)c1
InChIInChI=1S/C22H24N4O3S/c1-28-17-7-5-6-16(14-17)19-15-30-22(24-19)26-12-10-25(11-13-26)21(27)23-18-8-3-4-9-20(18)29-2/h3-9,14-15H,10-13H2,1-2H3,(H,23,27)
InChIKeyGVQCPEFOZZJDSQ-UHFFFAOYSA-N
MW424.53 g/mol
LogP4.18
Rot. Bonds5

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

N-(2-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide (PubChem CID 651034) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
PubChem CID651034
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-(2-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
SMILESCOc1cccc(-c2csc(N3CCN(C(=O)Nc4ccccc4OC)CC3)n2)c1
InChIInChI=1S/C22H24N4O3S/c1-28-17-7-5-6-16(14-17)19-15-30-22(24-19)26-12-10-25(11-13-26)21(27)23-18-8-3-4-9-20(18)29-2/h3-9,14-15H,10-13H2,1-2H3,(H,23,27)
InChIKeyGVQCPEFOZZJDSQ-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-(2-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide (CID 651034) is N-(2-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide is COc1cccc(-c2csc(N3CCN(C(=O)Nc4ccccc4OC)CC3)n2)c1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
The InChIKey is GVQCPEFOZZJDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-28-17-7-5-6-16(14-17)19-15-30-22(24-19)26-12-10-25(11-13-26)21(27)23-18-8-3-4-9-20(18)29-2/h3-9,14-15H,10-13H2,1-2H3,(H,23,27).
What are the key properties of N-(2-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide?
N-(2-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-(2-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 651034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).