1-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propan-2-yl]-3-propan-2-ylurea

C24H29N3O3S — CID 67854777

IUPAC1-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propan-2-yl]-3-propan-2-ylurea
SMILESCOc1ccc(-c2nc(C(C)(C)NC(=O)NC(C)C)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H29N3O3S/c1-15(2)25-23(28)27-24(3,4)22-26-20(16-7-11-18(29-5)12-8-16)21(31-22)17-9-13-19(30-6)14-10-17/h7-15H,1-6H3,(H2,25,27,28)
InChIKeyPMPGBNBORPDMOY-UHFFFAOYSA-N
MW439.58 g/mol
LogP5.44
Rot. Bonds7

About 1-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propan-2-yl]-3-propan-2-ylurea

1-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propan-2-yl]-3-propan-2-ylurea (PubChem CID 67854777) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is 1-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propan-2-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propan-2-yl]-3-propan-2-ylurea
PubChem CID67854777
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC Name1-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propan-2-yl]-3-propan-2-ylurea
SMILESCOc1ccc(-c2nc(C(C)(C)NC(=O)NC(C)C)sc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H29N3O3S/c1-15(2)25-23(28)27-24(3,4)22-26-20(16-7-11-18(29-5)12-8-16)21(31-22)17-9-13-19(30-6)14-10-17/h7-15H,1-6H3,(H2,25,27,28)
InChIKeyPMPGBNBORPDMOY-UHFFFAOYSA-N
XLogP5.44
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.58
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propan-2-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propan-2-yl]-3-propan-2-ylurea (CID 67854777) is 1-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propan-2-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propan-2-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propan-2-yl]-3-propan-2-ylurea is COc1ccc(-c2nc(C(C)(C)NC(=O)NC(C)C)sc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propan-2-yl]-3-propan-2-ylurea?
The InChIKey is PMPGBNBORPDMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-15(2)25-23(28)27-24(3,4)22-26-20(16-7-11-18(29-5)12-8-16)21(31-22)17-9-13-19(30-6)14-10-17/h7-15H,1-6H3,(H2,25,27,28).
What are the key properties of 1-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propan-2-yl]-3-propan-2-ylurea?
1-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propan-2-yl]-3-propan-2-ylurea has a molecular weight of 439.58 g/mol, XLogP of 5.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]propan-2-yl]-3-propan-2-ylurea is sourced from PubChem (CID 67854777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).