N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C24H21N3O3S3 — CID 16564184

IUPACN-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1c(-c2ccccc2)sc(NC(=O)c2csc(-c3cccs3)n2)c1C(=O)N1CCOCC1
InChIInChI=1S/C24H21N3O3S3/c1-15-19(24(29)27-9-11-30-12-10-27)23(33-20(15)16-6-3-2-4-7-16)26-21(28)17-14-32-22(25-17)18-8-5-13-31-18/h2-8,13-14H,9-12H2,1H3,(H,26,28)
InChIKeyPTEKMLXGCUABFS-UHFFFAOYSA-N
MW495.65 g/mol
LogP5.63
Rot. Bonds5

About N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 16564184) has the molecular formula C24H21N3O3S3 and a molecular weight of 495.65 g/mol. Its IUPAC name is N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID16564184
Molecular FormulaC24H21N3O3S3
Molecular Weight495.65 g/mol
Exact Mass495.07
IUPAC NameN-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESCc1c(-c2ccccc2)sc(NC(=O)c2csc(-c3cccs3)n2)c1C(=O)N1CCOCC1
InChIInChI=1S/C24H21N3O3S3/c1-15-19(24(29)27-9-11-30-12-10-27)23(33-20(15)16-6-3-2-4-7-16)26-21(28)17-14-32-22(25-17)18-8-5-13-31-18/h2-8,13-14H,9-12H2,1H3,(H,26,28)
InChIKeyPTEKMLXGCUABFS-UHFFFAOYSA-N
XLogP5.63
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.65
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 16564184) is N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is Cc1c(-c2ccccc2)sc(NC(=O)c2csc(-c3cccs3)n2)c1C(=O)N1CCOCC1.
What is the InChIKey of N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is PTEKMLXGCUABFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S3/c1-15-19(24(29)27-9-11-30-12-10-27)23(33-20(15)16-6-3-2-4-7-16)26-21(28)17-14-32-22(25-17)18-8-5-13-31-18/h2-8,13-14H,9-12H2,1H3,(H,26,28).
What are the key properties of N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 495.65 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16564184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).