2-[(1-ethylbenzimidazol-2-yl)methylamino]-1,3-thiazole-5-sulfonamide

C13H15N5O2S2 — CID 56789648

IUPAC2-[(1-ethylbenzimidazol-2-yl)methylamino]-1,3-thiazole-5-sulfonamide
SMILESCCn1c(CNc2ncc(S(N)(=O)=O)s2)nc2ccccc21
InChIInChI=1S/C13H15N5O2S2/c1-2-18-10-6-4-3-5-9(10)17-11(18)7-15-13-16-8-12(21-13)22(14,19)20/h3-6,8H,2,7H2,1H3,(H,15,16)(H2,14,19,20)
InChIKeySEQRIWUGSGDWJL-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.77
Rot. Bonds5

About 2-[(1-ethylbenzimidazol-2-yl)methylamino]-1,3-thiazole-5-sulfonamide

2-[(1-ethylbenzimidazol-2-yl)methylamino]-1,3-thiazole-5-sulfonamide (PubChem CID 56789648) has the molecular formula C13H15N5O2S2 and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-[(1-ethylbenzimidazol-2-yl)methylamino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[(1-ethylbenzimidazol-2-yl)methylamino]-1,3-thiazole-5-sulfonamide
PubChem CID56789648
Molecular FormulaC13H15N5O2S2
Molecular Weight337.43 g/mol
Exact Mass337.07
IUPAC Name2-[(1-ethylbenzimidazol-2-yl)methylamino]-1,3-thiazole-5-sulfonamide
SMILESCCn1c(CNc2ncc(S(N)(=O)=O)s2)nc2ccccc21
InChIInChI=1S/C13H15N5O2S2/c1-2-18-10-6-4-3-5-9(10)17-11(18)7-15-13-16-8-12(21-13)22(14,19)20/h3-6,8H,2,7H2,1H3,(H,15,16)(H2,14,19,20)
InChIKeySEQRIWUGSGDWJL-UHFFFAOYSA-N
XLogP1.77
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
N-[(1-ethylbenzimidazol-2-yl)methyl]-6-fluoropyridin-3-amine
CID 103825866
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 60980527
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline
CID 61020284
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 135109990
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 47145524
3-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]aniline
CID 61020848
2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]-1,3-thiazole-5-sulfonamide
CID 86818334
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpentan-2-amine
CID 115621638
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115574819
3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine
CID 63842235
4-bromo-N-[(1-ethylbenzimidazol-2-yl)methyl]-2-fluoroaniline
CID 61020055

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylbenzimidazol-2-yl)methylamino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[(1-ethylbenzimidazol-2-yl)methylamino]-1,3-thiazole-5-sulfonamide (CID 56789648) is 2-[(1-ethylbenzimidazol-2-yl)methylamino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[(1-ethylbenzimidazol-2-yl)methylamino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[(1-ethylbenzimidazol-2-yl)methylamino]-1,3-thiazole-5-sulfonamide is CCn1c(CNc2ncc(S(N)(=O)=O)s2)nc2ccccc21.
What is the InChIKey of 2-[(1-ethylbenzimidazol-2-yl)methylamino]-1,3-thiazole-5-sulfonamide?
The InChIKey is SEQRIWUGSGDWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S2/c1-2-18-10-6-4-3-5-9(10)17-11(18)7-15-13-16-8-12(21-13)22(14,19)20/h3-6,8H,2,7H2,1H3,(H,15,16)(H2,14,19,20).
What are the key properties of 2-[(1-ethylbenzimidazol-2-yl)methylamino]-1,3-thiazole-5-sulfonamide?
2-[(1-ethylbenzimidazol-2-yl)methylamino]-1,3-thiazole-5-sulfonamide has a molecular weight of 337.43 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylbenzimidazol-2-yl)methylamino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 56789648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).