2-methyl-N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]propanamide

C19H25N3O3S2 — CID 70680646

IUPAC2-methyl-N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]propanamide
SMILESCC1CCN(S(=O)(=O)c2ccc(-c3csc(NC(=O)C(C)C)n3)cc2)CC1
InChIInChI=1S/C19H25N3O3S2/c1-13(2)18(23)21-19-20-17(12-26-19)15-4-6-16(7-5-15)27(24,25)22-10-8-14(3)9-11-22/h4-7,12-14H,8-11H2,1-3H3,(H,20,21,23)
InChIKeyBSGGPLQCZDWXSY-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.83
Rot. Bonds5

About 2-methyl-N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]propanamide

2-methyl-N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 70680646) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-methyl-N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]propanamide
PubChem CID70680646
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC Name2-methyl-N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]propanamide
SMILESCC1CCN(S(=O)(=O)c2ccc(-c3csc(NC(=O)C(C)C)n3)cc2)CC1
InChIInChI=1S/C19H25N3O3S2/c1-13(2)18(23)21-19-20-17(12-26-19)15-4-6-16(7-5-15)27(24,25)22-10-8-14(3)9-11-22/h4-7,12-14H,8-11H2,1-3H3,(H,20,21,23)
InChIKeyBSGGPLQCZDWXSY-UHFFFAOYSA-N
XLogP3.83
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]propanamide (CID 70680646) is 2-methyl-N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]propanamide is CC1CCN(S(=O)(=O)c2ccc(-c3csc(NC(=O)C(C)C)n3)cc2)CC1.
What is the InChIKey of 2-methyl-N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is BSGGPLQCZDWXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-13(2)18(23)21-19-20-17(12-26-19)15-4-6-16(7-5-15)27(24,25)22-10-8-14(3)9-11-22/h4-7,12-14H,8-11H2,1-3H3,(H,20,21,23).
What are the key properties of 2-methyl-N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]propanamide?
2-methyl-N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 407.56 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 70680646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).