5-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid

C10H9ClN4O2S2 — CID 114920144

IUPAC5-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid
SMILESCN(C)c1nnc(Sc2cc(C(=O)O)c(Cl)cn2)s1
InChIInChI=1S/C10H9ClN4O2S2/c1-15(2)9-13-14-10(19-9)18-7-3-5(8(16)17)6(11)4-12-7/h3-4H,1-2H3,(H,16,17)
InChIKeyRUSBAYLNCKSYKR-UHFFFAOYSA-N
MW316.80 g/mol
LogP2.50
Rot. Bonds4

About 5-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid

5-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid (PubChem CID 114920144) has the molecular formula C10H9ClN4O2S2 and a molecular weight of 316.80 g/mol. Its IUPAC name is 5-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid
PubChem CID114920144
Molecular FormulaC10H9ClN4O2S2
Molecular Weight316.80 g/mol
Exact Mass315.99
IUPAC Name5-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid
SMILESCN(C)c1nnc(Sc2cc(C(=O)O)c(Cl)cn2)s1
InChIInChI=1S/C10H9ClN4O2S2/c1-15(2)9-13-14-10(19-9)18-7-3-5(8(16)17)6(11)4-12-7/h3-4H,1-2H3,(H,16,17)
InChIKeyRUSBAYLNCKSYKR-UHFFFAOYSA-N
XLogP2.50
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid
CID 63739046
5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-4-carboxylic acid
CID 114920084
5-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 114870905
5-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid
CID 81440111
5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid
CID 114920125
4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-2-carboxylic acid
CID 63736937
4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-nitrobenzoic acid
CID 104500013
2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-methoxybenzoic acid
CID 81309694
5-chloro-2-(4,6-diaminopyrimidin-2-yl)sulfanylpyridine-4-carboxylic acid
CID 114920118
[6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-pyridinyl]methanol
CID 80651531
5-chloro-2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid
CID 107779233
2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-6-methylpyrimidine-4-carboxylic acid
CID 107555246

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid (CID 114920144) is 5-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid is CN(C)c1nnc(Sc2cc(C(=O)O)c(Cl)cn2)s1.
What is the InChIKey of 5-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid?
The InChIKey is RUSBAYLNCKSYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2S2/c1-15(2)9-13-14-10(19-9)18-7-3-5(8(16)17)6(11)4-12-7/h3-4H,1-2H3,(H,16,17).
What are the key properties of 5-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid?
5-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid has a molecular weight of 316.80 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114920144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).