2-aminoethanol;2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide

C11H13N7O3S — CID 15623145

IUPAC2-aminoethanol;2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESNCCO.O=C(Nc1nn[nH]n1)c1csc(-c2ccco2)n1
InChIInChI=1S/C9H6N6O2S.C2H7NO/c16-7(11-9-12-14-15-13-9)5-4-18-8(10-5)6-2-1-3-17-6;3-1-2-4/h1-4H,(H2,11,12,13,14,15,16);4H,1-3H2
InChIKeyIBQKAYXUXDIQEJ-UHFFFAOYSA-N
MW323.34 g/mol
LogP0.11
Rot. Bonds4

About 2-aminoethanol;2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide

2-aminoethanol;2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 15623145) has the molecular formula C11H13N7O3S and a molecular weight of 323.34 g/mol. Its IUPAC name is 2-aminoethanol;2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-aminoethanol;2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID15623145
Molecular FormulaC11H13N7O3S
Molecular Weight323.34 g/mol
Exact Mass323.08
IUPAC Name2-aminoethanol;2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESNCCO.O=C(Nc1nn[nH]n1)c1csc(-c2ccco2)n1
InChIInChI=1S/C9H6N6O2S.C2H7NO/c16-7(11-9-12-14-15-13-9)5-4-18-8(10-5)6-2-1-3-17-6;3-1-2-4/h1-4H,(H2,11,12,13,14,15,16);4H,1-3H2
InChIKeyIBQKAYXUXDIQEJ-UHFFFAOYSA-N
XLogP0.11
TPSA155.84 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-aminoethanol;2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide (CID 15623145) is 2-aminoethanol;2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-aminoethanol;2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-aminoethanol;2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide is NCCO.O=C(Nc1nn[nH]n1)c1csc(-c2ccco2)n1.
What is the InChIKey of 2-aminoethanol;2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is IBQKAYXUXDIQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N6O2S.C2H7NO/c16-7(11-9-12-14-15-13-9)5-4-18-8(10-5)6-2-1-3-17-6;3-1-2-4/h1-4H,(H2,11,12,13,14,15,16);4H,1-3H2.
What are the key properties of 2-aminoethanol;2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide?
2-aminoethanol;2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 323.34 g/mol, XLogP of 0.11, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2-(furan-2-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 15623145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).