N-(2,3-dihydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

C10H13N5O3S — CID 66175567

IUPACN-(2,3-dihydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2cccs2)n1)NCC(O)CO
InChIInChI=1S/C10H13N5O3S/c16-6-7(17)4-11-9(18)5-15-13-10(12-14-15)8-2-1-3-19-8/h1-3,7,16-17H,4-6H2,(H,11,18)
InChIKeyHXLPCWWJBZQJED-UHFFFAOYSA-N
MW283.31 g/mol
LogP-1.13
Rot. Bonds6

About N-(2,3-dihydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

N-(2,3-dihydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (PubChem CID 66175567) has the molecular formula C10H13N5O3S and a molecular weight of 283.31 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
PubChem CID66175567
Molecular FormulaC10H13N5O3S
Molecular Weight283.31 g/mol
Exact Mass283.07
IUPAC NameN-(2,3-dihydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2cccs2)n1)NCC(O)CO
InChIInChI=1S/C10H13N5O3S/c16-6-7(17)4-11-9(18)5-15-13-10(12-14-15)8-2-1-3-19-8/h1-3,7,16-17H,4-6H2,(H,11,18)
InChIKeyHXLPCWWJBZQJED-UHFFFAOYSA-N
XLogP-1.13
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (CID 66175567) is N-(2,3-dihydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2cccs2)n1)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The InChIKey is HXLPCWWJBZQJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3S/c16-6-7(17)4-11-9(18)5-15-13-10(12-14-15)8-2-1-3-19-8/h1-3,7,16-17H,4-6H2,(H,11,18).
What are the key properties of N-(2,3-dihydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
N-(2,3-dihydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide has a molecular weight of 283.31 g/mol, XLogP of -1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 66175567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).