N,N,4-trimethyl-2-(prop-2-enylsulfonylamino)-1,3-thiazole-5-carboxamide

C10H15N3O3S2 — CID 91956017

IUPACN,N,4-trimethyl-2-(prop-2-enylsulfonylamino)-1,3-thiazole-5-carboxamide
SMILESC=CCS(=O)(=O)Nc1nc(C)c(C(=O)N(C)C)s1
InChIInChI=1S/C10H15N3O3S2/c1-5-6-18(15,16)12-10-11-7(2)8(17-10)9(14)13(3)4/h5H,1,6H2,2-4H3,(H,11,12)
InChIKeyZMOWTQGAZMTQRE-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.08
Rot. Bonds5

About N,N,4-trimethyl-2-(prop-2-enylsulfonylamino)-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-(prop-2-enylsulfonylamino)-1,3-thiazole-5-carboxamide (PubChem CID 91956017) has the molecular formula C10H15N3O3S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N,N,4-trimethyl-2-(prop-2-enylsulfonylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-(prop-2-enylsulfonylamino)-1,3-thiazole-5-carboxamide
PubChem CID91956017
Molecular FormulaC10H15N3O3S2
Molecular Weight289.38 g/mol
Exact Mass289.06
IUPAC NameN,N,4-trimethyl-2-(prop-2-enylsulfonylamino)-1,3-thiazole-5-carboxamide
SMILESC=CCS(=O)(=O)Nc1nc(C)c(C(=O)N(C)C)s1
InChIInChI=1S/C10H15N3O3S2/c1-5-6-18(15,16)12-10-11-7(2)8(17-10)9(14)13(3)4/h5H,1,6H2,2-4H3,(H,11,12)
InChIKeyZMOWTQGAZMTQRE-UHFFFAOYSA-N
XLogP1.08
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-(prop-2-enylsulfonylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-(prop-2-enylsulfonylamino)-1,3-thiazole-5-carboxamide (CID 91956017) is N,N,4-trimethyl-2-(prop-2-enylsulfonylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-(prop-2-enylsulfonylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-(prop-2-enylsulfonylamino)-1,3-thiazole-5-carboxamide is C=CCS(=O)(=O)Nc1nc(C)c(C(=O)N(C)C)s1.
What is the InChIKey of N,N,4-trimethyl-2-(prop-2-enylsulfonylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is ZMOWTQGAZMTQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S2/c1-5-6-18(15,16)12-10-11-7(2)8(17-10)9(14)13(3)4/h5H,1,6H2,2-4H3,(H,11,12).
What are the key properties of N,N,4-trimethyl-2-(prop-2-enylsulfonylamino)-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-(prop-2-enylsulfonylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-(prop-2-enylsulfonylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91956017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).