N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C12H18N4O3S2 — CID 64557293

IUPACN-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCNC(C)c1csc(NS(=O)(=O)c2c(C)noc2C)n1
InChIInChI=1S/C12H18N4O3S2/c1-5-13-7(2)10-6-20-12(14-10)16-21(17,18)11-8(3)15-19-9(11)4/h6-7,13H,5H2,1-4H3,(H,14,16)
InChIKeyXHPZNXRCPMQMCI-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.22
Rot. Bonds6

About N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 64557293) has the molecular formula C12H18N4O3S2 and a molecular weight of 330.44 g/mol. Its IUPAC name is N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID64557293
Molecular FormulaC12H18N4O3S2
Molecular Weight330.44 g/mol
Exact Mass330.08
IUPAC NameN-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCNC(C)c1csc(NS(=O)(=O)c2c(C)noc2C)n1
InChIInChI=1S/C12H18N4O3S2/c1-5-13-7(2)10-6-20-12(14-10)16-21(17,18)11-8(3)15-19-9(11)4/h6-7,13H,5H2,1-4H3,(H,14,16)
InChIKeyXHPZNXRCPMQMCI-UHFFFAOYSA-N
XLogP2.22
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 64557293) is N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is CCNC(C)c1csc(NS(=O)(=O)c2c(C)noc2C)n1.
What is the InChIKey of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is XHPZNXRCPMQMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S2/c1-5-13-7(2)10-6-20-12(14-10)16-21(17,18)11-8(3)15-19-9(11)4/h6-7,13H,5H2,1-4H3,(H,14,16).
What are the key properties of N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 330.44 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 64557293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).