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

C9H12ClN3O3S — CID 106100363

IUPAC5-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC1OCCC1(O)CNC(=O)c1nnc(Cl)s1
InChIInChI=1S/C9H12ClN3O3S/c1-5-9(15,2-3-16-5)4-11-6(14)7-12-13-8(10)17-7/h5,15H,2-4H2,1H3,(H,11,14)
InChIKeyVIRKWEIZYPATMC-UHFFFAOYSA-N
MW277.73 g/mol
LogP0.46
Rot. Bonds3

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

5-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 106100363) has the molecular formula C9H12ClN3O3S and a molecular weight of 277.73 g/mol. Its IUPAC name is 5-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID106100363
Molecular FormulaC9H12ClN3O3S
Molecular Weight277.73 g/mol
Exact Mass277.03
IUPAC Name5-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC1OCCC1(O)CNC(=O)c1nnc(Cl)s1
InChIInChI=1S/C9H12ClN3O3S/c1-5-9(15,2-3-16-5)4-11-6(14)7-12-13-8(10)17-7/h5,15H,2-4H2,1H3,(H,11,14)
InChIKeyVIRKWEIZYPATMC-UHFFFAOYSA-N
XLogP0.46
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
CID 107302139
5-chloro-N-[(1-hydroxycyclopentyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80619325
5-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 115359345
3,4,5-trichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-2-carboxamide
CID 107302208
4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrole-2-carboxamide
CID 107301756
5-bromo-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-3-carboxamide
CID 107301534
4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide
CID 107302150
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea
CID 107268631
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide
CID 107302098
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
CID 107301506
2-(2,4-dichlorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301999

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 106100363) is 5-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is CC1OCCC1(O)CNC(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is VIRKWEIZYPATMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O3S/c1-5-9(15,2-3-16-5)4-11-6(14)7-12-13-8(10)17-7/h5,15H,2-4H2,1H3,(H,11,14).
What are the key properties of 5-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 277.73 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 106100363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).