N-[5-[(3-chlorophenyl)methylsulfonyl]-4-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide

C17H14ClN3O3S2 — CID 88889458

IUPACN-[5-[(3-chlorophenyl)methylsulfonyl]-4-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C17H14ClN3O3S2/c1-11-16(26(23,24)10-12-5-4-6-13(18)9-12)25-17(20-11)21-15(22)14-7-2-3-8-19-14/h2-9H,10H2,1H3,(H,20,21,22)
InChIKeyIKRIVXIHNWUJSH-UHFFFAOYSA-N
MW407.90 g/mol
LogP3.73
Rot. Bonds5

About N-[5-[(3-chlorophenyl)methylsulfonyl]-4-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide

N-[5-[(3-chlorophenyl)methylsulfonyl]-4-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 88889458) has the molecular formula C17H14ClN3O3S2 and a molecular weight of 407.90 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methylsulfonyl]-4-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methylsulfonyl]-4-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID88889458
Molecular FormulaC17H14ClN3O3S2
Molecular Weight407.90 g/mol
Exact Mass407.02
IUPAC NameN-[5-[(3-chlorophenyl)methylsulfonyl]-4-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESCc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C17H14ClN3O3S2/c1-11-16(26(23,24)10-12-5-4-6-13(18)9-12)25-17(20-11)21-15(22)14-7-2-3-8-19-14/h2-9H,10H2,1H3,(H,20,21,22)
InChIKeyIKRIVXIHNWUJSH-UHFFFAOYSA-N
XLogP3.73
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methylsulfonyl]-4-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methylsulfonyl]-4-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 88889458) is N-[5-[(3-chlorophenyl)methylsulfonyl]-4-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methylsulfonyl]-4-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methylsulfonyl]-4-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide is Cc1nc(NC(=O)c2ccccn2)sc1S(=O)(=O)Cc1cccc(Cl)c1.
What is the InChIKey of N-[5-[(3-chlorophenyl)methylsulfonyl]-4-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is IKRIVXIHNWUJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3S2/c1-11-16(26(23,24)10-12-5-4-6-13(18)9-12)25-17(20-11)21-15(22)14-7-2-3-8-19-14/h2-9H,10H2,1H3,(H,20,21,22).
What are the key properties of N-[5-[(3-chlorophenyl)methylsulfonyl]-4-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide?
N-[5-[(3-chlorophenyl)methylsulfonyl]-4-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 407.90 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methylsulfonyl]-4-methyl-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 88889458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).