N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide

C18H24N4O3S2 — CID 167339788

IUPACN-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide
SMILESCc1cc(S(=O)(=O)NC(C)C2CCNCC2)ccc1NC(=O)c1nccs1
InChIInChI=1S/C18H24N4O3S2/c1-12-11-15(3-4-16(12)21-17(23)18-20-9-10-26-18)27(24,25)22-13(2)14-5-7-19-8-6-14/h3-4,9-11,13-14,19,22H,5-8H2,1-2H3,(H,21,23)
InChIKeyYDAPRXXAYZRVHA-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.37
Rot. Bonds6

About N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide

N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide (PubChem CID 167339788) has the molecular formula C18H24N4O3S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide
PubChem CID167339788
Molecular FormulaC18H24N4O3S2
Molecular Weight408.55 g/mol
Exact Mass408.13
IUPAC NameN-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide
SMILESCc1cc(S(=O)(=O)NC(C)C2CCNCC2)ccc1NC(=O)c1nccs1
InChIInChI=1S/C18H24N4O3S2/c1-12-11-15(3-4-16(12)21-17(23)18-20-9-10-26-18)27(24,25)22-13(2)14-5-7-19-8-6-14/h3-4,9-11,13-14,19,22H,5-8H2,1-2H3,(H,21,23)
InChIKeyYDAPRXXAYZRVHA-UHFFFAOYSA-N
XLogP2.37
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide (CID 167339788) is N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide is Cc1cc(S(=O)(=O)NC(C)C2CCNCC2)ccc1NC(=O)c1nccs1.
What is the InChIKey of N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide?
The InChIKey is YDAPRXXAYZRVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S2/c1-12-11-15(3-4-16(12)21-17(23)18-20-9-10-26-18)27(24,25)22-13(2)14-5-7-19-8-6-14/h3-4,9-11,13-14,19,22H,5-8H2,1-2H3,(H,21,23).
What are the key properties of N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide?
N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(1-piperidin-4-ylethylsulfamoyl)phenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 167339788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).