2-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide

C10H9ClN4S2 — CID 55079053

IUPAC2-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1Sc1nnc(C)s1
InChIInChI=1S/C10H9ClN4S2/c1-5-14-15-10(16-5)17-7-4-2-3-6(11)8(7)9(12)13/h2-4H,1H3,(H3,12,13)
InChIKeyDPOWIZFIQAAFPS-UHFFFAOYSA-N
MW284.80 g/mol
LogP2.94
Rot. Bonds3

About 2-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide

2-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide (PubChem CID 55079053) has the molecular formula C10H9ClN4S2 and a molecular weight of 284.80 g/mol. Its IUPAC name is 2-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide
PubChem CID55079053
Molecular FormulaC10H9ClN4S2
Molecular Weight284.80 g/mol
Exact Mass284.00
IUPAC Name2-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1Sc1nnc(C)s1
InChIInChI=1S/C10H9ClN4S2/c1-5-14-15-10(16-5)17-7-4-2-3-6(11)8(7)9(12)13/h2-4H,1H3,(H3,12,13)
InChIKeyDPOWIZFIQAAFPS-UHFFFAOYSA-N
XLogP2.94
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.80
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-pyridin-2-ylsulfanylbenzenecarboximidamide
CID 62496202
2-chloro-6-ethylsulfanylbenzenecarboximidamide
CID 62495699
2-chloro-6-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 62495530
2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 55079659
6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 60875812
3-(2-chlorophenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide
CID 61091978
3-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzenecarboximidamide
CID 102668557
2-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 62496544
4-chloro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3-benzothiazole
CID 18709225
2-chloro-5-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 115555574
2-chloro-6-(propan-2-ylamino)benzenecarboximidamide
CID 62497171
1-[3-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 62911755

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide?
The IUPAC name of 2-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide (CID 55079053) is 2-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1Sc1nnc(C)s1.
What is the InChIKey of 2-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide?
The InChIKey is DPOWIZFIQAAFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4S2/c1-5-14-15-10(16-5)17-7-4-2-3-6(11)8(7)9(12)13/h2-4H,1H3,(H3,12,13).
What are the key properties of 2-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide?
2-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide has a molecular weight of 284.80 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide is sourced from PubChem (CID 55079053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).