1,2-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide

C13H14N6O2S2 — CID 131925661

IUPAC1,2-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCc2csc(-c3cnccn3)n2)cn1C
InChIInChI=1S/C13H14N6O2S2/c1-9-17-12(7-19(9)2)23(20,21)16-5-10-8-22-13(18-10)11-6-14-3-4-15-11/h3-4,6-8,16H,5H2,1-2H3
InChIKeyXADSLBCGVLZATO-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.12
Rot. Bonds5

About 1,2-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide

1,2-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide (PubChem CID 131925661) has the molecular formula C13H14N6O2S2 and a molecular weight of 350.43 g/mol. Its IUPAC name is 1,2-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide
PubChem CID131925661
Molecular FormulaC13H14N6O2S2
Molecular Weight350.43 g/mol
Exact Mass350.06
IUPAC Name1,2-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)NCc2csc(-c3cnccn3)n2)cn1C
InChIInChI=1S/C13H14N6O2S2/c1-9-17-12(7-19(9)2)23(20,21)16-5-10-8-22-13(18-10)11-6-14-3-4-15-11/h3-4,6-8,16H,5H2,1-2H3
InChIKeyXADSLBCGVLZATO-UHFFFAOYSA-N
XLogP1.12
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3-methyl-6-imidazo[2,1-b]thiazolyl)methyl]-1-propanesulfonamide
CID 5310488
N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]ethanesulfonamide
CID 3243110
N,N-dimethyl-5-{1-[(5-methylpyrazin-2-yl)methyl]-1H-imidazol-2-yl}-1,3-thiazol-2-amine
CID 56868675
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanesulfonamide
CID 132384211
1-methyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-1H-imidazole-4-sulfonamide
CID 122563938
Imidazo[1,2-a]pyrazin-8-amine, N-methyl-3-(2-thiazolyl)-
CID 11736397
Imidazo[5,1-b][1,3]thiazol-7-yl(methylsulfonyl)methanamine
CID 23449312
2-(6-Methyl-8-methylsulfonylimidazo[1,2-a]pyrazin-3-yl)-1,3-thiazole
CID 59503592
2-[1-(Pyrazin-2-ylmethyl)imidazol-2-yl]-1,3-thiazole
CID 142892195
[6-(1,1-Dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 43581754
1-[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 43581755
N-[[6-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 43581757

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide (CID 131925661) is 1,2-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide is Cc1nc(S(=O)(=O)NCc2csc(-c3cnccn3)n2)cn1C.
What is the InChIKey of 1,2-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide?
The InChIKey is XADSLBCGVLZATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O2S2/c1-9-17-12(7-19(9)2)23(20,21)16-5-10-8-22-13(18-10)11-6-14-3-4-15-11/h3-4,6-8,16H,5H2,1-2H3.
What are the key properties of 1,2-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide?
1,2-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide has a molecular weight of 350.43 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 131925661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).