N-(2-hydroxyethyl)-N-propan-2-yl-1,2,5-thiadiazole-3-carboxamide

C8H13N3O2S — CID 43573812

IUPACN-(2-hydroxyethyl)-N-propan-2-yl-1,2,5-thiadiazole-3-carboxamide
SMILESCC(C)N(CCO)C(=O)c1cnsn1
InChIInChI=1S/C8H13N3O2S/c1-6(2)11(3-4-12)8(13)7-5-9-14-10-7/h5-6,12H,3-4H2,1-2H3
InChIKeyUBEGVJACENOUQD-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.38
Rot. Bonds4

About N-(2-hydroxyethyl)-N-propan-2-yl-1,2,5-thiadiazole-3-carboxamide

N-(2-hydroxyethyl)-N-propan-2-yl-1,2,5-thiadiazole-3-carboxamide (PubChem CID 43573812) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-propan-2-yl-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-propan-2-yl-1,2,5-thiadiazole-3-carboxamide
PubChem CID43573812
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-(2-hydroxyethyl)-N-propan-2-yl-1,2,5-thiadiazole-3-carboxamide
SMILESCC(C)N(CCO)C(=O)c1cnsn1
InChIInChI=1S/C8H13N3O2S/c1-6(2)11(3-4-12)8(13)7-5-9-14-10-7/h5-6,12H,3-4H2,1-2H3
InChIKeyUBEGVJACENOUQD-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-yl-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-propan-2-yl-1,2,5-thiadiazole-3-carboxamide (CID 43573812) is N-(2-hydroxyethyl)-N-propan-2-yl-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-propan-2-yl-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-propan-2-yl-1,2,5-thiadiazole-3-carboxamide is CC(C)N(CCO)C(=O)c1cnsn1.
What is the InChIKey of N-(2-hydroxyethyl)-N-propan-2-yl-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is UBEGVJACENOUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-6(2)11(3-4-12)8(13)7-5-9-14-10-7/h5-6,12H,3-4H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-propan-2-yl-1,2,5-thiadiazole-3-carboxamide?
N-(2-hydroxyethyl)-N-propan-2-yl-1,2,5-thiadiazole-3-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-yl-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 43573812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).