N-(2-hydroxyethyl)-N-propan-2-ylthiadiazole-5-carboxamide

C8H13N3O2S — CID 43573813

IUPACN-(2-hydroxyethyl)-N-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)N(CCO)C(=O)c1cnns1
InChIInChI=1S/C8H13N3O2S/c1-6(2)11(3-4-12)8(13)7-5-9-10-14-7/h5-6,12H,3-4H2,1-2H3
InChIKeyKFFLWBKPFLEKRP-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.38
Rot. Bonds4

About N-(2-hydroxyethyl)-N-propan-2-ylthiadiazole-5-carboxamide

N-(2-hydroxyethyl)-N-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 43573813) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propan-2-ylthiadiazole-5-carboxamide
PubChem CID43573813
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-(2-hydroxyethyl)-N-propan-2-ylthiadiazole-5-carboxamide
SMILESCC(C)N(CCO)C(=O)c1cnns1
InChIInChI=1S/C8H13N3O2S/c1-6(2)11(3-4-12)8(13)7-5-9-10-14-7/h5-6,12H,3-4H2,1-2H3
InChIKeyKFFLWBKPFLEKRP-UHFFFAOYSA-N
XLogP0.38
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propan-2-ylthiadiazole-5-carboxamide (CID 43573813) is N-(2-hydroxyethyl)-N-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propan-2-ylthiadiazole-5-carboxamide is CC(C)N(CCO)C(=O)c1cnns1.
What is the InChIKey of N-(2-hydroxyethyl)-N-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is KFFLWBKPFLEKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-6(2)11(3-4-12)8(13)7-5-9-10-14-7/h5-6,12H,3-4H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-propan-2-ylthiadiazole-5-carboxamide?
N-(2-hydroxyethyl)-N-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 215.28 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 43573813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).