2-(3-methylthiophen-2-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole

C18H18N2O2S3 — CID 35618551

IUPAC2-(3-methylthiophen-2-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole
SMILESCc1ccsc1-c1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1
InChIInChI=1S/C18H18N2O2S3/c1-13-8-11-23-17(13)18-19-16(12-24-18)14-4-6-15(7-5-14)25(21,22)20-9-2-3-10-20/h4-8,11-12H,2-3,9-10H2,1H3
InChIKeyOSVPZHJJKCXXNK-UHFFFAOYSA-N
MW390.56 g/mol
LogP4.63
Rot. Bonds4

About 2-(3-methylthiophen-2-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole

2-(3-methylthiophen-2-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole (PubChem CID 35618551) has the molecular formula C18H18N2O2S3 and a molecular weight of 390.56 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole
PubChem CID35618551
Molecular FormulaC18H18N2O2S3
Molecular Weight390.56 g/mol
Exact Mass390.05
IUPAC Name2-(3-methylthiophen-2-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole
SMILESCc1ccsc1-c1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1
InChIInChI=1S/C18H18N2O2S3/c1-13-8-11-23-17(13)18-19-16(12-24-18)14-4-6-15(7-5-14)25(21,22)20-9-2-3-10-20/h4-8,11-12H,2-3,9-10H2,1H3
InChIKeyOSVPZHJJKCXXNK-UHFFFAOYSA-N
XLogP4.63
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.56
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-chlorophenyl)-1,3-thiazole
CID 5121122
2-(4-chlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 1033169
4-methyl-2-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
CID 9422820
1-[4-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]phenyl]pyrrolidin-2-one
CID 35618395
4-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 18293013
2-methyl-4-[[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole
CID 55630104
4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-3-yl-1,3-thiazole
CID 171703804
N-(3,5-dimethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 1118677
3-ethyl-1-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentan-2-one
CID 157094162
1-(2-methylphenoxy)-3-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 159448954
N-propyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 8962774
1-(4-methylphenyl)-3-[4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 157283485

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole?
The IUPAC name of 2-(3-methylthiophen-2-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole (CID 35618551) is 2-(3-methylthiophen-2-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole is Cc1ccsc1-c1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole?
The InChIKey is OSVPZHJJKCXXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S3/c1-13-8-11-23-17(13)18-19-16(12-24-18)14-4-6-15(7-5-14)25(21,22)20-9-2-3-10-20/h4-8,11-12H,2-3,9-10H2,1H3.
What are the key properties of 2-(3-methylthiophen-2-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole?
2-(3-methylthiophen-2-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole has a molecular weight of 390.56 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole is sourced from PubChem (CID 35618551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).