N,1,2-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazole-4-sulfonamide

C12H18N4O2S2 — CID 131931916

IUPACN,1,2-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazole-4-sulfonamide
SMILESCc1ncsc1CCN(C)S(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C12H18N4O2S2/c1-9-11(19-8-13-9)5-6-16(4)20(17,18)12-7-15(3)10(2)14-12/h7-8H,5-6H2,1-4H3
InChIKeyIRFCCTYNANATOL-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.36
Rot. Bonds5

About N,1,2-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazole-4-sulfonamide

N,1,2-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazole-4-sulfonamide (PubChem CID 131931916) has the molecular formula C12H18N4O2S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is N,1,2-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound NameN,1,2-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazole-4-sulfonamide
PubChem CID131931916
Molecular FormulaC12H18N4O2S2
Molecular Weight314.44 g/mol
Exact Mass314.09
IUPAC NameN,1,2-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazole-4-sulfonamide
SMILESCc1ncsc1CCN(C)S(=O)(=O)c1cn(C)c(C)n1
InChIInChI=1S/C12H18N4O2S2/c1-9-11(19-8-13-9)5-6-16(4)20(17,18)12-7-15(3)10(2)14-12/h7-8H,5-6H2,1-4H3
InChIKeyIRFCCTYNANATOL-UHFFFAOYSA-N
XLogP1.36
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyanoethyl)-N,1,2-trimethylimidazole-4-sulfonamide
CID 62062274
methyl 3-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]propanoate
CID 62062662
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
methyl 2-[(1,2-dimethylimidazol-4-yl)sulfonyl-methylamino]acetate
CID 55030482
N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 131900052
N-[[4-(aminomethyl)phenyl]methyl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 62062589
N,1,2-trimethyl-N-[(3-methyl-2-pyridinyl)methyl]imidazole-4-sulfonamide
CID 131951567
N-(2-aminoethyl)-N-ethyl-1,2-dimethylimidazole-4-sulfonamide
CID 62061368
2-[carboxymethyl-(1,2-dimethylimidazol-4-yl)sulfonylamino]acetic acid
CID 63646589
5-chloro-N,1-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]imidazole-4-sulfonamide
CID 55259471
N-[(3-cyanophenyl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 62960505
2-[2-(4-methyl-1,3-thiazol-5-yl)ethyl-propan-2-ylamino]acetic acid
CID 62071366

Frequently Asked Questions

What is the IUPAC name of N,1,2-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazole-4-sulfonamide?
The IUPAC name of N,1,2-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazole-4-sulfonamide (CID 131931916) is N,1,2-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for N,1,2-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazole-4-sulfonamide?
The canonical SMILES for N,1,2-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazole-4-sulfonamide is Cc1ncsc1CCN(C)S(=O)(=O)c1cn(C)c(C)n1.
What is the InChIKey of N,1,2-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazole-4-sulfonamide?
The InChIKey is IRFCCTYNANATOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S2/c1-9-11(19-8-13-9)5-6-16(4)20(17,18)12-7-15(3)10(2)14-12/h7-8H,5-6H2,1-4H3.
What are the key properties of N,1,2-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazole-4-sulfonamide?
N,1,2-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazole-4-sulfonamide has a molecular weight of 314.44 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,2-trimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 131931916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).