2-[5-methyl-4-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole

C18H27N3O2S3 — CID 53039227

IUPAC2-[5-methyl-4-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole
SMILESCCCN1CCN(S(=O)(=O)c2cc(-c3nc(C(C)C)cs3)sc2C)CC1
InChIInChI=1S/C18H27N3O2S3/c1-5-6-20-7-9-21(10-8-20)26(22,23)17-11-16(25-14(17)4)18-19-15(12-24-18)13(2)3/h11-13H,5-10H2,1-4H3
InChIKeyJNLZVHOYJADUGJ-UHFFFAOYSA-N
MW413.63 g/mol
LogP4.02
Rot. Bonds6

About 2-[5-methyl-4-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole

2-[5-methyl-4-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole (PubChem CID 53039227) has the molecular formula C18H27N3O2S3 and a molecular weight of 413.63 g/mol. Its IUPAC name is 2-[5-methyl-4-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-methyl-4-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole
PubChem CID53039227
Molecular FormulaC18H27N3O2S3
Molecular Weight413.63 g/mol
Exact Mass413.13
IUPAC Name2-[5-methyl-4-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole
SMILESCCCN1CCN(S(=O)(=O)c2cc(-c3nc(C(C)C)cs3)sc2C)CC1
InChIInChI=1S/C18H27N3O2S3/c1-5-6-20-7-9-21(10-8-20)26(22,23)17-11-16(25-14(17)4)18-19-15(12-24-18)13(2)3/h11-13H,5-10H2,1-4H3
InChIKeyJNLZVHOYJADUGJ-UHFFFAOYSA-N
XLogP4.02
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.63
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-ethylpiperazin-1-yl)sulfonyl-5-methylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole
CID 50835167
N-cyclohexyl-2-methyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 50835214
1-(2,5-dimethylthiophen-3-yl)sulfonyl-4-(3-methylbutyl)piperazine
CID 60540170
2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-4-methyl-1,3-thiazole
CID 50835831
4-[[4-(2,5-dimethylthiophen-3-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 31111224
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-propylpiperazine
CID 22772813
2-methyl-4-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,3-thiazole
CID 50843856
3,4-dimethyl-5-(4-propylpiperazin-1-yl)sulfonylaniline
CID 28546952
5-ethyl-3-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole
CID 53041556
N-[3-(azepan-1-yl)propyl]-2-methyl-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 46392955
1-[2-(4-chlorophenoxy)ethyl]-4-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpiperazine
CID 53138871
5-ethyl-3-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,2,4-oxadiazole
CID 53041558

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-[5-methyl-4-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole (CID 53039227) is 2-[5-methyl-4-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[5-methyl-4-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-[5-methyl-4-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole is CCCN1CCN(S(=O)(=O)c2cc(-c3nc(C(C)C)cs3)sc2C)CC1.
What is the InChIKey of 2-[5-methyl-4-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole?
The InChIKey is JNLZVHOYJADUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S3/c1-5-6-20-7-9-21(10-8-20)26(22,23)17-11-16(25-14(17)4)18-19-15(12-24-18)13(2)3/h11-13H,5-10H2,1-4H3.
What are the key properties of 2-[5-methyl-4-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole?
2-[5-methyl-4-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole has a molecular weight of 413.63 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-(4-propylpiperazin-1-yl)sulfonylthiophen-2-yl]-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 53039227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).