1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine

C18H17N5O2S — CID 157426412

IUPAC1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine
SMILESC=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4[nH]ncc4c3)o2)c1
InChIInChI=1S/C18H17N5O2S/c1-26(2,24)23-15-5-3-4-14(9-15)21-18-19-11-17(25-18)12-6-7-16-13(8-12)10-20-22-16/h3-11H,1H2,2H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyUTZBDCYALRMECL-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.63
Rot. Bonds5

About 1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine

1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine (PubChem CID 157426412) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine
PubChem CID157426412
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine
SMILESC=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4[nH]ncc4c3)o2)c1
InChIInChI=1S/C18H17N5O2S/c1-26(2,24)23-15-5-3-4-14(9-15)21-18-19-11-17(25-18)12-6-7-16-13(8-12)10-20-22-16/h3-11H,1H2,2H3,(H,19,21)(H,20,22)(H,23,24)
InChIKeyUTZBDCYALRMECL-UHFFFAOYSA-N
XLogP3.63
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-N-(1H-indazol-5-yl)oxazol-2-amine
CID 23725570
1-Methyl-6-(5-m-tolyl-oxazol-2-ylamino)-1H-indole-3-carbonitrile
CID 510920
6-[5-(3-Aminomethyl-phenyl)-oxazol-2-ylamino]-1-methyl-1H-indole-3-carbonitrile
CID 510924
N-(1H-indazol-4-yl)-5-[4-(trifluoromethyl)phenyl]oxazol-2-amine
CID 49799401
N-(1H-indazol-5-yl)-5-phenyl-oxazol-2-amine
CID 49768383
N-(1H-indazol-5-yl)-5-(3-methoxyphenyl)oxazol-2-amine
CID 49768438
N-(5-benzyl-1,3-oxazol-2-yl)-1H-indazole-3-carboxamide
CID 90656738
5-(3-chlorophenyl)-N-(1H-indazol-5-yl)oxazol-2-amine
CID 23725522
4-N-(1H-indazol-4-yl)-2-N-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine
CID 126962206
5-(3-fluorophenyl)-N-(1H-indazol-5-yl)oxazol-2-amine
CID 23725572
5-(4-fluorophenyl)-N-(1H-indazol-5-yl)oxazol-2-amine
CID 23725618
1H-Indazol-6-amine, N-[5-(4-trifluoromethylphenyl)-2-oxazolyl]-
CID 23725730

Frequently Asked Questions

What is the IUPAC name of 1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine?
The IUPAC name of 1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine (CID 157426412) is 1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine.
What is the SMILES notation for 1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine?
The canonical SMILES for 1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine is C=S(C)(=O)Nc1cccc(Nc2ncc(-c3ccc4[nH]ncc4c3)o2)c1.
What is the InChIKey of 1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine?
The InChIKey is UTZBDCYALRMECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-26(2,24)23-15-5-3-4-14(9-15)21-18-19-11-17(25-18)12-6-7-16-13(8-12)10-20-22-16/h3-11H,1H2,2H3,(H,19,21)(H,20,22)(H,23,24).
What are the key properties of 1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine?
1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine has a molecular weight of 367.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[5-(1H-indazol-5-yl)-1,3-oxazol-2-yl]-3-N-(methyl-methylidene-oxo-λ6-sulfanyl)benzene-1,3-diamine is sourced from PubChem (CID 157426412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).