2-[5-[2-[4-(dihydroxyamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]guanidine

C14H15N7O2S2 — CID 143561890

IUPAC2-[5-[2-[4-(dihydroxyamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]guanidine
SMILESCc1nc(N=C(N)N)sc1-c1csc(Nc2ccc(N(O)O)cc2)n1
InChIInChI=1S/C14H15N7O2S2/c1-7-11(25-14(17-7)20-12(15)16)10-6-24-13(19-10)18-8-2-4-9(5-3-8)21(22)23/h2-6,22-23H,1H3,(H,18,19)(H4,15,16,17,20)
InChIKeyPBTFIACIUVZCFM-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.81
Rot. Bonds5

About 2-[5-[2-[4-(dihydroxyamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]guanidine

2-[5-[2-[4-(dihydroxyamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]guanidine (PubChem CID 143561890) has the molecular formula C14H15N7O2S2 and a molecular weight of 377.46 g/mol. Its IUPAC name is 2-[5-[2-[4-(dihydroxyamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[5-[2-[4-(dihydroxyamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]guanidine
PubChem CID143561890
Molecular FormulaC14H15N7O2S2
Molecular Weight377.46 g/mol
Exact Mass377.07
IUPAC Name2-[5-[2-[4-(dihydroxyamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]guanidine
SMILESCc1nc(N=C(N)N)sc1-c1csc(Nc2ccc(N(O)O)cc2)n1
InChIInChI=1S/C14H15N7O2S2/c1-7-11(25-14(17-7)20-12(15)16)10-6-24-13(19-10)18-8-2-4-9(5-3-8)21(22)23/h2-6,22-23H,1H3,(H,18,19)(H4,15,16,17,20)
InChIKeyPBTFIACIUVZCFM-UHFFFAOYSA-N
XLogP2.81
TPSA145.91 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-methyl-5-[2-(4-nitroanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]guanidine
CID 24830655
1-N-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine;hydrobromide
CID 2877428
4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol
CID 2866860
N-[5-[2-[4-(diethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide;hydrobromide
CID 2877527
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 2958770
N-[5-[2-(4-acetamidoanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide;hydrobromide
CID 2877340
3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzamide
CID 71478317
4-[[4-[4-methyl-2-(propanoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide
CID 5344979
4-[[4-[4-methyl-2-(propanoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzoate
CID 2230892
4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 1075886
4-[2-(4-methylanilino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 962878
3-[4-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]propanoic acid
CID 87682710

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[4-(dihydroxyamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 2-[5-[2-[4-(dihydroxyamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]guanidine (CID 143561890) is 2-[5-[2-[4-(dihydroxyamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 2-[5-[2-[4-(dihydroxyamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 2-[5-[2-[4-(dihydroxyamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]guanidine is Cc1nc(N=C(N)N)sc1-c1csc(Nc2ccc(N(O)O)cc2)n1.
What is the InChIKey of 2-[5-[2-[4-(dihydroxyamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]guanidine?
The InChIKey is PBTFIACIUVZCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2S2/c1-7-11(25-14(17-7)20-12(15)16)10-6-24-13(19-10)18-8-2-4-9(5-3-8)21(22)23/h2-6,22-23H,1H3,(H,18,19)(H4,15,16,17,20).
What are the key properties of 2-[5-[2-[4-(dihydroxyamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]guanidine?
2-[5-[2-[4-(dihydroxyamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]guanidine has a molecular weight of 377.46 g/mol, XLogP of 2.81, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[4-(dihydroxyamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 143561890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).