2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

C15H16N4O4S2 — CID 90624573

IUPAC2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NS(=O)(=O)Cc2noc3ccccc23)sc1C(=O)N(C)C
InChIInChI=1S/C15H16N4O4S2/c1-9-13(14(20)19(2)3)24-15(16-9)18-25(21,22)8-11-10-6-4-5-7-12(10)23-17-11/h4-7H,8H2,1-3H3,(H,16,18)
InChIKeyPFWKFYNAFBWSLA-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.24
Rot. Bonds5

About 2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 90624573) has the molecular formula C15H16N4O4S2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID90624573
Molecular FormulaC15H16N4O4S2
Molecular Weight380.45 g/mol
Exact Mass380.06
IUPAC Name2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NS(=O)(=O)Cc2noc3ccccc23)sc1C(=O)N(C)C
InChIInChI=1S/C15H16N4O4S2/c1-9-13(14(20)19(2)3)24-15(16-9)18-25(21,22)8-11-10-6-4-5-7-12(10)23-17-11/h4-7H,8H2,1-3H3,(H,16,18)
InChIKeyPFWKFYNAFBWSLA-UHFFFAOYSA-N
XLogP2.24
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 90624573) is 2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(NS(=O)(=O)Cc2noc3ccccc23)sc1C(=O)N(C)C.
What is the InChIKey of 2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is PFWKFYNAFBWSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4S2/c1-9-13(14(20)19(2)3)24-15(16-9)18-25(21,22)8-11-10-6-4-5-7-12(10)23-17-11/h4-7H,8H2,1-3H3,(H,16,18).
What are the key properties of 2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90624573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).