4-[4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carbonyl]-N-propan-2-ylpiperazine-1-carboxamide

C26H30N4O4S — CID 10051436

IUPAC4-[4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carbonyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)N3CCN(C(=O)NC(C)C)CC3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H30N4O4S/c1-17(2)27-26(32)30-15-13-29(14-16-30)25(31)24-28-22(18-5-9-20(33-3)10-6-18)23(35-24)19-7-11-21(34-4)12-8-19/h5-12,17H,13-16H2,1-4H3,(H,27,32)
InChIKeyMCQULDNAORUORL-UHFFFAOYSA-N
MW494.62 g/mol
LogP4.37
Rot. Bonds6

About 4-[4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carbonyl]-N-propan-2-ylpiperazine-1-carboxamide

4-[4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carbonyl]-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 10051436) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is 4-[4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carbonyl]-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carbonyl]-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID10051436
Molecular FormulaC26H30N4O4S
Molecular Weight494.62 g/mol
Exact Mass494.20
IUPAC Name4-[4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carbonyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)N3CCN(C(=O)NC(C)C)CC3)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H30N4O4S/c1-17(2)27-26(32)30-15-13-29(14-16-30)25(31)24-28-22(18-5-9-20(33-3)10-6-18)23(35-24)19-7-11-21(34-4)12-8-19/h5-12,17H,13-16H2,1-4H3,(H,27,32)
InChIKeyMCQULDNAORUORL-UHFFFAOYSA-N
XLogP4.37
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carbonyl]-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carbonyl]-N-propan-2-ylpiperazine-1-carboxamide (CID 10051436) is 4-[4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carbonyl]-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carbonyl]-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carbonyl]-N-propan-2-ylpiperazine-1-carboxamide is COc1ccc(-c2nc(C(=O)N3CCN(C(=O)NC(C)C)CC3)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carbonyl]-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is MCQULDNAORUORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S/c1-17(2)27-26(32)30-15-13-29(14-16-30)25(31)24-28-22(18-5-9-20(33-3)10-6-18)23(35-24)19-7-11-21(34-4)12-8-19/h5-12,17H,13-16H2,1-4H3,(H,27,32).
What are the key properties of 4-[4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carbonyl]-N-propan-2-ylpiperazine-1-carboxamide?
4-[4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carbonyl]-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 494.62 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-bis(4-methoxyphenyl)-1,3-thiazole-2-carbonyl]-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 10051436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).