N-(4,5-dimethyl-1,3-thiazol-2-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

C11H15N3O3S2 — CID 110752992

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1nc(N(C)S(=O)(=O)c2c(C)noc2C)sc1C
InChIInChI=1S/C11H15N3O3S2/c1-6-9(4)18-11(12-6)14(5)19(15,16)10-7(2)13-17-8(10)3/h1-5H3
InChIKeyWJOLOUKYZZITIG-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.19
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 110752992) has the molecular formula C11H15N3O3S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
PubChem CID110752992
Molecular FormulaC11H15N3O3S2
Molecular Weight301.39 g/mol
Exact Mass301.06
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1nc(N(C)S(=O)(=O)c2c(C)noc2C)sc1C
InChIInChI=1S/C11H15N3O3S2/c1-6-9(4)18-11(12-6)14(5)19(15,16)10-7(2)13-17-8(10)3/h1-5H3
InChIKeyWJOLOUKYZZITIG-UHFFFAOYSA-N
XLogP2.19
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

propane;N,N,3,5-tetramethyl-1,2-oxazole-4-sulfonamide
CID 170621891
N,3,5-trimethyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]-1,2-oxazole-4-sulfonamide
CID 113094567
N-(4-bromophenyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 20851644
N,N-ditert-butyl-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 58624073
3-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbenzenesulfonamide
CID 110752997
N-[2-(ethylsulfonylamino)ethyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 110636148
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]acetamide
CID 27687531
2-cyano-N-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbenzenesulfonamide
CID 110753003
N,3,5-trimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 129369481
N-(1-bromopropan-2-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 104556356
N-cyclohexyl-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 2814174
N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 47318835

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (CID 110752992) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is Cc1nc(N(C)S(=O)(=O)c2c(C)noc2C)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is WJOLOUKYZZITIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S2/c1-6-9(4)18-11(12-6)14(5)19(15,16)10-7(2)13-17-8(10)3/h1-5H3.
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 301.39 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 110752992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).