2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide

C28H24N4O4S3 — CID 5136321

IUPAC2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc(C(=O)Nc4nc(-c5ccc(OC)c(C)c5)cs4)s3)n2)cc1C
InChIInChI=1S/C28H24N4O4S3/c1-15-11-17(5-7-21(15)35-3)19-13-37-27(29-19)31-25(33)23-9-10-24(39-23)26(34)32-28-30-20(14-38-28)18-6-8-22(36-4)16(2)12-18/h5-14H,1-4H3,(H,29,31,33)(H,30,32,34)
InChIKeyWRFCHAGTDUJNRW-UHFFFAOYSA-N
MW576.73 g/mol
LogP7.13
Rot. Bonds8

About 2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide

2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide (PubChem CID 5136321) has the molecular formula C28H24N4O4S3 and a molecular weight of 576.73 g/mol. Its IUPAC name is 2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
PubChem CID5136321
Molecular FormulaC28H24N4O4S3
Molecular Weight576.73 g/mol
Exact Mass576.10
IUPAC Name2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc(C(=O)Nc4nc(-c5ccc(OC)c(C)c5)cs4)s3)n2)cc1C
InChIInChI=1S/C28H24N4O4S3/c1-15-11-17(5-7-21(15)35-3)19-13-37-27(29-19)31-25(33)23-9-10-24(39-23)26(34)32-28-30-20(14-38-28)18-6-8-22(36-4)16(2)12-18/h5-14H,1-4H3,(H,29,31,33)(H,30,32,34)
InChIKeyWRFCHAGTDUJNRW-UHFFFAOYSA-N
XLogP7.13
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.73
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide
CID 3267150
2,4-dimethoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3533618
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 3590296
2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 5121730
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 734128
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045194
2-N,5-N-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 4295617
N-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-3-methoxythiophene-2-carboxamide
CID 71858357
2-(benzenesulfonyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7544449
1-(4-ethoxyphenyl)-3-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]urea
CID 4685723
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)sulfanylpropanamide
CID 7545224
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methoxy-5-sulfamoylbenzamide
CID 43018416

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide (CID 5136321) is 2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide is COc1ccc(-c2csc(NC(=O)c3ccc(C(=O)Nc4nc(-c5ccc(OC)c(C)c5)cs4)s3)n2)cc1C.
What is the InChIKey of 2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide?
The InChIKey is WRFCHAGTDUJNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O4S3/c1-15-11-17(5-7-21(15)35-3)19-13-37-27(29-19)31-25(33)23-9-10-24(39-23)26(34)32-28-30-20(14-38-28)18-6-8-22(36-4)16(2)12-18/h5-14H,1-4H3,(H,29,31,33)(H,30,32,34).
What are the key properties of 2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide?
2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide has a molecular weight of 576.73 g/mol, XLogP of 7.13, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide is sourced from PubChem (CID 5136321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).