1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide

C32H30N4O2S2 — CID 3495731

IUPAC1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
SMILESCC(C)c1ccc(-c2csc(NC(=O)c3cccc(C(=O)Nc4nc(-c5ccc(C(C)C)cc5)cs4)c3)n2)cc1
InChIInChI=1S/C32H30N4O2S2/c1-19(2)21-8-12-23(13-9-21)27-17-39-31(33-27)35-29(37)25-6-5-7-26(16-25)30(38)36-32-34-28(18-40-32)24-14-10-22(11-15-24)20(3)4/h5-20H,1-4H3,(H,33,35,37)(H,34,36,38)
InChIKeyWPFFMRVJNRVMSA-UHFFFAOYSA-N
MW566.75 g/mol
LogP8.69
Rot. Bonds8

About 1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide

1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide (PubChem CID 3495731) has the molecular formula C32H30N4O2S2 and a molecular weight of 566.75 g/mol. Its IUPAC name is 1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
PubChem CID3495731
Molecular FormulaC32H30N4O2S2
Molecular Weight566.75 g/mol
Exact Mass566.18
IUPAC Name1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
SMILESCC(C)c1ccc(-c2csc(NC(=O)c3cccc(C(=O)Nc4nc(-c5ccc(C(C)C)cc5)cs4)c3)n2)cc1
InChIInChI=1S/C32H30N4O2S2/c1-19(2)21-8-12-23(13-9-21)27-17-39-31(33-27)35-29(37)25-6-5-7-26(16-25)30(38)36-32-34-28(18-40-32)24-14-10-22(11-15-24)20(3)4/h5-20H,1-4H3,(H,33,35,37)(H,34,36,38)
InChIKeyWPFFMRVJNRVMSA-UHFFFAOYSA-N
XLogP8.69
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.75
LogP ≤ 58.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methylsulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 7565619
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 896408
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 4120073
2,3,4,5,6-pentafluoro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4060927
4-propan-2-yloxy-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4118646
3,4,5-triethoxy-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3308749
1-N,3-N-bis[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3602567
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55649885
2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 5057994
2-methylsulfanyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 8610272
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide
CID 18587128
3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 4115065

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide (CID 3495731) is 1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide is CC(C)c1ccc(-c2csc(NC(=O)c3cccc(C(=O)Nc4nc(-c5ccc(C(C)C)cc5)cs4)c3)n2)cc1.
What is the InChIKey of 1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide?
The InChIKey is WPFFMRVJNRVMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O2S2/c1-19(2)21-8-12-23(13-9-21)27-17-39-31(33-27)35-29(37)25-6-5-7-26(16-25)30(38)36-32-34-28(18-40-32)24-14-10-22(11-15-24)20(3)4/h5-20H,1-4H3,(H,33,35,37)(H,34,36,38).
What are the key properties of 1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide?
1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide has a molecular weight of 566.75 g/mol, XLogP of 8.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 3495731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).