N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide

C19H25N3O3S2 — CID 60568886

IUPACN-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(C)NC(=O)C1CCCCN1S(C)(=O)=O
InChIInChI=1S/C19H25N3O3S2/c1-13(17-14(2)21-19(26-17)15-9-5-4-6-10-15)20-18(23)16-11-7-8-12-22(16)27(3,24)25/h4-6,9-10,13,16H,7-8,11-12H2,1-3H3,(H,20,23)
InChIKeyRFJNLBLXZQZFFF-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.11
Rot. Bonds5

About N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide

N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide (PubChem CID 60568886) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
PubChem CID60568886
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC NameN-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(C)NC(=O)C1CCCCN1S(C)(=O)=O
InChIInChI=1S/C19H25N3O3S2/c1-13(17-14(2)21-19(26-17)15-9-5-4-6-10-15)20-18(23)16-11-7-8-12-22(16)27(3,24)25/h4-6,9-10,13,16H,7-8,11-12H2,1-3H3,(H,20,23)
InChIKeyRFJNLBLXZQZFFF-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide (CID 60568886) is N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide is Cc1nc(-c2ccccc2)sc1C(C)NC(=O)C1CCCCN1S(C)(=O)=O.
What is the InChIKey of N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide?
The InChIKey is RFJNLBLXZQZFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-13(17-14(2)21-19(26-17)15-9-5-4-6-10-15)20-18(23)16-11-7-8-12-22(16)27(3,24)25/h4-6,9-10,13,16H,7-8,11-12H2,1-3H3,(H,20,23).
What are the key properties of N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide?
N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 60568886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).