ethane;4-(6-isocyano-5-methyl-1H-indazol-3-yl)-1,2-thiazole

C14H14N4S — CID 158407742

IUPACethane;4-(6-isocyano-5-methyl-1H-indazol-3-yl)-1,2-thiazole
SMILESCC.[C-]#[N+]c1cc2[nH]nc(-c3cnsc3)c2cc1C
InChIInChI=1S/C12H8N4S.C2H6/c1-7-3-9-11(4-10(7)13-2)15-16-12(9)8-5-14-17-6-8;1-2/h3-6H,1H3,(H,15,16);1-2H3
InChIKeyGYXIVIJERVJFHP-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.57
Rot. Bonds1

About ethane;4-(6-isocyano-5-methyl-1H-indazol-3-yl)-1,2-thiazole

ethane;4-(6-isocyano-5-methyl-1H-indazol-3-yl)-1,2-thiazole (PubChem CID 158407742) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is ethane;4-(6-isocyano-5-methyl-1H-indazol-3-yl)-1,2-thiazole.

Molecular Properties

Compound Nameethane;4-(6-isocyano-5-methyl-1H-indazol-3-yl)-1,2-thiazole
PubChem CID158407742
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Nameethane;4-(6-isocyano-5-methyl-1H-indazol-3-yl)-1,2-thiazole
SMILESCC.[C-]#[N+]c1cc2[nH]nc(-c3cnsc3)c2cc1C
InChIInChI=1S/C12H8N4S.C2H6/c1-7-3-9-11(4-10(7)13-2)15-16-12(9)8-5-14-17-6-8;1-2/h3-6H,1H3,(H,15,16);1-2H3
InChIKeyGYXIVIJERVJFHP-UHFFFAOYSA-N
XLogP4.57
TPSA45.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-fluoro-6-methyl-4-propylphenyl)-6-isocyano-3-(2-methyl-4-pyridinyl)-1H-indazole
CID 159196382
4-isocyano-5-methyl-1H-pyrazole
CID 20736942
3-(4-fluorophenyl)-5-iodo-6-methyl-1H-indazole
CID 69003526
1-[4-[3-(2,5-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)-6-isocyano-1H-indazol-5-yl]-3-fluoro-5-methylphenyl]-N-methylmethanamine
CID 166518876
1-ethylsulfanyl-2-(5-isocyano-3,6-dimethyl-1H-indol-2-yl)propan-2-ol
CID 58121218
6-[(2-methylpyrimidin-4-yl)methyl]-3-pyridin-4-yl-5,6,8,9-tetrahydro-1H-pyrazolo[4,5-h][3,1]benzoxazepine
CID 155033044
3-(4-methylphenyl)-1H-indazol-5-amine
CID 39218240
5-(1-ethylpyrazol-4-yl)-3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 71253332
6-(6-fluoro-5-methyl-1H-indazol-3-yl)-2-methylpyridine-3-carbonitrile
CID 170364766
6-N,5-dimethyl-1H-indazole-3,6-diamine
CID 101200364
3-(4-fluoro-3-methylphenyl)-1H-indazole
CID 82073034
N,N-dimethyl-3-[6-methyl-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]aniline
CID 145037822

Frequently Asked Questions

What is the IUPAC name of ethane;4-(6-isocyano-5-methyl-1H-indazol-3-yl)-1,2-thiazole?
The IUPAC name of ethane;4-(6-isocyano-5-methyl-1H-indazol-3-yl)-1,2-thiazole (CID 158407742) is ethane;4-(6-isocyano-5-methyl-1H-indazol-3-yl)-1,2-thiazole.
What is the SMILES notation for ethane;4-(6-isocyano-5-methyl-1H-indazol-3-yl)-1,2-thiazole?
The canonical SMILES for ethane;4-(6-isocyano-5-methyl-1H-indazol-3-yl)-1,2-thiazole is CC.[C-]#[N+]c1cc2[nH]nc(-c3cnsc3)c2cc1C.
What is the InChIKey of ethane;4-(6-isocyano-5-methyl-1H-indazol-3-yl)-1,2-thiazole?
The InChIKey is GYXIVIJERVJFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4S.C2H6/c1-7-3-9-11(4-10(7)13-2)15-16-12(9)8-5-14-17-6-8;1-2/h3-6H,1H3,(H,15,16);1-2H3.
What are the key properties of ethane;4-(6-isocyano-5-methyl-1H-indazol-3-yl)-1,2-thiazole?
ethane;4-(6-isocyano-5-methyl-1H-indazol-3-yl)-1,2-thiazole has a molecular weight of 270.36 g/mol, XLogP of 4.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(6-isocyano-5-methyl-1H-indazol-3-yl)-1,2-thiazole is sourced from PubChem (CID 158407742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).