N-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanesulfonamide

C11H13N5O2S2 — CID 168627401

IUPACN-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1C=NNc1nc(N)cs1
InChIInChI=1S/C11H13N5O2S2/c1-20(17,18)16-9-5-3-2-4-8(9)6-13-15-11-14-10(12)7-19-11/h2-7,16H,12H2,1H3,(H,14,15)
InChIKeyGABXTJNZFIZSST-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.54
Rot. Bonds5

About N-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanesulfonamide

N-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanesulfonamide (PubChem CID 168627401) has the molecular formula C11H13N5O2S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanesulfonamide
PubChem CID168627401
Molecular FormulaC11H13N5O2S2
Molecular Weight311.39 g/mol
Exact Mass311.05
IUPAC NameN-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1C=NNc1nc(N)cs1
InChIInChI=1S/C11H13N5O2S2/c1-20(17,18)16-9-5-3-2-4-8(9)6-13-15-11-14-10(12)7-19-11/h2-7,16H,12H2,1H3,(H,14,15)
InChIKeyGABXTJNZFIZSST-UHFFFAOYSA-N
XLogP1.54
TPSA109.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-[[2-(4-methylphenyl)sulfonylphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627757
2-N-(naphthalen-1-ylmethylideneamino)-1,3-thiazole-2,4-diamine
CID 168625528
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methylphenol
CID 168625735
2-N-[(2,3,4,5,6-pentamethylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626305
2-N-[(2-pentoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625942
2-N-[(5-fluoronaphthalen-1-yl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628122
2-N-[[2-(4-fluorophenoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626295
2-N-[[2-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626182
2-N-[[2-(4-tert-butylphenoxy)phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627709
2-N-[(1-fluoronaphthalen-2-yl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628178
ethyl 2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetate
CID 168627585
N-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-difluorophenyl]propane-1-sulfonamide
CID 168626751

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanesulfonamide (CID 168627401) is N-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccccc1C=NNc1nc(N)cs1.
What is the InChIKey of N-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanesulfonamide?
The InChIKey is GABXTJNZFIZSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S2/c1-20(17,18)16-9-5-3-2-4-8(9)6-13-15-11-14-10(12)7-19-11/h2-7,16H,12H2,1H3,(H,14,15).
What are the key properties of N-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanesulfonamide?
N-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanesulfonamide has a molecular weight of 311.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 168627401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).