2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methylamino]-1,3-thiazole-5-sulfonamide

C15H17N5O2S2 — CID 133351194

IUPAC2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methylamino]-1,3-thiazole-5-sulfonamide
SMILESCc1nccn1Cc1cccc(CNc2ncc(S(N)(=O)=O)s2)c1
InChIInChI=1S/C15H17N5O2S2/c1-11-17-5-6-20(11)10-13-4-2-3-12(7-13)8-18-15-19-9-14(23-15)24(16,21)22/h2-7,9H,8,10H2,1H3,(H,18,19)(H2,16,21,22)
InChIKeyZAYHBVITQMLSLV-UHFFFAOYSA-N
MW363.47 g/mol
LogP1.96
Rot. Bonds6

About 2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methylamino]-1,3-thiazole-5-sulfonamide

2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methylamino]-1,3-thiazole-5-sulfonamide (PubChem CID 133351194) has the molecular formula C15H17N5O2S2 and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methylamino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methylamino]-1,3-thiazole-5-sulfonamide
PubChem CID133351194
Molecular FormulaC15H17N5O2S2
Molecular Weight363.47 g/mol
Exact Mass363.08
IUPAC Name2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methylamino]-1,3-thiazole-5-sulfonamide
SMILESCc1nccn1Cc1cccc(CNc2ncc(S(N)(=O)=O)s2)c1
InChIInChI=1S/C15H17N5O2S2/c1-11-17-5-6-20(11)10-13-4-2-3-12(7-13)8-18-15-19-9-14(23-15)24(16,21)22/h2-7,9H,8,10H2,1H3,(H,18,19)(H2,16,21,22)
InChIKeyZAYHBVITQMLSLV-UHFFFAOYSA-N
XLogP1.96
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methylamino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methylamino]-1,3-thiazole-5-sulfonamide (CID 133351194) is 2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methylamino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methylamino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methylamino]-1,3-thiazole-5-sulfonamide is Cc1nccn1Cc1cccc(CNc2ncc(S(N)(=O)=O)s2)c1.
What is the InChIKey of 2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methylamino]-1,3-thiazole-5-sulfonamide?
The InChIKey is ZAYHBVITQMLSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S2/c1-11-17-5-6-20(11)10-13-4-2-3-12(7-13)8-18-15-19-9-14(23-15)24(16,21)22/h2-7,9H,8,10H2,1H3,(H,18,19)(H2,16,21,22).
What are the key properties of 2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methylamino]-1,3-thiazole-5-sulfonamide?
2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methylamino]-1,3-thiazole-5-sulfonamide has a molecular weight of 363.47 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methylamino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 133351194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).