N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide

C8H12N4O2S — CID 120945116

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NCC1CNCC1O)c1cnsn1
InChIInChI=1S/C8H12N4O2S/c13-7-4-9-1-5(7)2-10-8(14)6-3-11-15-12-6/h3,5,7,9,13H,1-2,4H2,(H,10,14)
InChIKeyZJRFHAANTKDOJI-UHFFFAOYSA-N
MW228.28 g/mol
LogP-1.15
Rot. Bonds3

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 120945116) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide
PubChem CID120945116
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NCC1CNCC1O)c1cnsn1
InChIInChI=1S/C8H12N4O2S/c13-7-4-9-1-5(7)2-10-8(14)6-3-11-15-12-6/h3,5,7,9,13H,1-2,4H2,(H,10,14)
InChIKeyZJRFHAANTKDOJI-UHFFFAOYSA-N
XLogP-1.15
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 129001929
N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride
CID 120946232
5-cyclopropyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 120944680
N-(2-pyrrolidin-3-ylethyl)-1,2,5-thiadiazole-3-carboxamide
CID 63630234
N-[(3R)-pyrrolidin-3-yl]-1,2,5-thiadiazole-3-carboxamide
CID 79685297
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120947898
5-(furan-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 120944619
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1H-indazole-4-carboxamide
CID 120947793
N-(2-cyclohexylethyl)-1,2,5-thiadiazole-3-carboxamide
CID 47338961
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylsulfanylbenzamide
CID 120943236
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120946998
5-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 120943202

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide (CID 120945116) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide is O=C(NCC1CNCC1O)c1cnsn1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is ZJRFHAANTKDOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c13-7-4-9-1-5(7)2-10-8(14)6-3-11-15-12-6/h3,5,7,9,13H,1-2,4H2,(H,10,14).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 228.28 g/mol, XLogP of -1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 120945116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).