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

C22H26N4O2S2 — CID 56561374

IUPAC1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
SMILESCC(C)c1nc(CNC(=O)c2ccc(C(=O)NCc3csc(C(C)C)n3)cc2)cs1
InChIInChI=1S/C22H26N4O2S2/c1-13(2)21-25-17(11-29-21)9-23-19(27)15-5-7-16(8-6-15)20(28)24-10-18-12-30-22(26-18)14(3)4/h5-8,11-14H,9-10H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyNXFBYLYICMXJSV-UHFFFAOYSA-N
MW442.61 g/mol
LogP4.71
Rot. Bonds8

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

1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide (PubChem CID 56561374) has the molecular formula C22H26N4O2S2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
PubChem CID56561374
Molecular FormulaC22H26N4O2S2
Molecular Weight442.61 g/mol
Exact Mass442.15
IUPAC Name1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
SMILESCC(C)c1nc(CNC(=O)c2ccc(C(=O)NCc3csc(C(C)C)n3)cc2)cs1
InChIInChI=1S/C22H26N4O2S2/c1-13(2)21-25-17(11-29-21)9-23-19(27)15-5-7-16(8-6-15)20(28)24-10-18-12-30-22(26-18)14(3)4/h5-8,11-14H,9-10H2,1-4H3,(H,23,27)(H,24,28)
InChIKeyNXFBYLYICMXJSV-UHFFFAOYSA-N
XLogP4.71
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728056
4-propan-2-ylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557906
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 56558275
4-butoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557994
4-cyclopentyloxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557686
3,5-dimethoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728064
4-(azepan-1-ylsulfonyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558410
4-[(4-methylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558023
3-cyano-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728060
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558119
4-(furan-2-ylmethylsulfamoyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56558217

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide (CID 56561374) is 1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide is CC(C)c1nc(CNC(=O)c2ccc(C(=O)NCc3csc(C(C)C)n3)cc2)cs1.
What is the InChIKey of 1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide?
The InChIKey is NXFBYLYICMXJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S2/c1-13(2)21-25-17(11-29-21)9-23-19(27)15-5-7-16(8-6-15)20(28)24-10-18-12-30-22(26-18)14(3)4/h5-8,11-14H,9-10H2,1-4H3,(H,23,27)(H,24,28).
What are the key properties of 1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide?
1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide has a molecular weight of 442.61 g/mol, XLogP of 4.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 56561374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).