5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen;propane

C10H18N4OS — CID 142472775

IUPAC5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen;propane
SMILESCCC.CCOc1ccsc1-c1nn[nH]n1.[H][H]
InChIInChI=1S/C7H8N4OS.C3H8.H2/c1-2-12-5-3-4-13-6(5)7-8-10-11-9-7;1-3-2;/h3-4H,2H2,1H3,(H,8,9,10,11);3H2,1-2H3;1H
InChIKeyQNGLPDUJENGBMA-UHFFFAOYSA-N
MW242.35 g/mol
LogP2.99
Rot. Bonds3

About 5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen;propane

5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen;propane (PubChem CID 142472775) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen;propane.

Molecular Properties

Compound Name5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen;propane
PubChem CID142472775
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen;propane
SMILESCCC.CCOc1ccsc1-c1nn[nH]n1.[H][H]
InChIInChI=1S/C7H8N4OS.C3H8.H2/c1-2-12-5-3-4-13-6(5)7-8-10-11-9-7;1-3-2;/h3-4H,2H2,1H3,(H,8,9,10,11);3H2,1-2H3;1H
InChIKeyQNGLPDUJENGBMA-UHFFFAOYSA-N
XLogP2.99
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen
CID 142472719
[3-(3-ethoxythiophen-2-yl)-1,2,4-oxadiazol-5-yl]methanol
CID 142472649
5-(2,6-dimethoxyphenyl)-2H-tetrazole
CID 10726952
5-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2H-tetrazole
CID 132592973
1-cyclopropyl-7-ethoxy-3-(2H-tetrazol-5-yl)indole
CID 91319296
2-ethoxy-6-methyl-4-(2H-tetrazol-5-yl)phenol;formaldehyde;methoxymethane
CID 143271209
5-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2H-tetrazole
CID 132592950
3-ethoxy-5-(3-ethoxythiophen-2-yl)-2-(4-ethoxythiophen-2-yl)thiophene
CID 139212118
N-methyl-N-[2-[2-(2H-tetrazol-5-yl)thiophen-3-yl]phenyl]benzamide
CID 174420551
7-ethoxy-1-benzothiophene
CID 68789103
2-butan-2-yl-4-(2H-tetrazol-5-yl)-1,3-thiazole;molecular hydrogen
CID 142391683
2,3,4,5-tetrakis(3-ethoxythiophen-2-yl)-2,3-dihydrothiophene
CID 163890490

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen;propane?
The IUPAC name of 5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen;propane (CID 142472775) is 5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen;propane.
What is the SMILES notation for 5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen;propane?
The canonical SMILES for 5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen;propane is CCC.CCOc1ccsc1-c1nn[nH]n1.[H][H].
What is the InChIKey of 5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen;propane?
The InChIKey is QNGLPDUJENGBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS.C3H8.H2/c1-2-12-5-3-4-13-6(5)7-8-10-11-9-7;1-3-2;/h3-4H,2H2,1H3,(H,8,9,10,11);3H2,1-2H3;1H.
What are the key properties of 5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen;propane?
5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen;propane has a molecular weight of 242.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxythiophen-2-yl)-2H-tetrazole;molecular hydrogen;propane is sourced from PubChem (CID 142472775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).