N-[4-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-1,3-thiazol-2-yl]acetamide

C15H20N4O3S3 — CID 11998679

IUPACN-[4-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)N3CCN(C)CC3)c2)s1
InChIInChI=1S/C15H20N4O3S3/c1-10-14(24-15(16-10)17-11(2)20)12-8-13(23-9-12)25(21,22)19-6-4-18(3)5-7-19/h8-9H,4-7H2,1-3H3,(H,16,17,20)
InChIKeyCIEREIOJYBZIKL-UHFFFAOYSA-N
MW400.55 g/mol
LogP2.07
Rot. Bonds4

About N-[4-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-1,3-thiazol-2-yl]acetamide

N-[4-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 11998679) has the molecular formula C15H20N4O3S3 and a molecular weight of 400.55 g/mol. Its IUPAC name is N-[4-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID11998679
Molecular FormulaC15H20N4O3S3
Molecular Weight400.55 g/mol
Exact Mass400.07
IUPAC NameN-[4-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)N3CCN(C)CC3)c2)s1
InChIInChI=1S/C15H20N4O3S3/c1-10-14(24-15(16-10)17-11(2)20)12-8-13(23-9-12)25(21,22)19-6-4-18(3)5-7-19/h8-9H,4-7H2,1-3H3,(H,16,17,20)
InChIKeyCIEREIOJYBZIKL-UHFFFAOYSA-N
XLogP2.07
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-1,3-thiazol-2-yl]acetamide (CID 11998679) is N-[4-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)N3CCN(C)CC3)c2)s1.
What is the InChIKey of N-[4-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CIEREIOJYBZIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S3/c1-10-14(24-15(16-10)17-11(2)20)12-8-13(23-9-12)25(21,22)19-6-4-18(3)5-7-19/h8-9H,4-7H2,1-3H3,(H,16,17,20).
What are the key properties of N-[4-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 400.55 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11998679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).