2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-6-methylpyrimidine-4-carboxylic acid

C10H11N5O2S2 — CID 107555246

IUPAC2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(Sc2nnc(N(C)C)s2)n1
InChIInChI=1S/C10H11N5O2S2/c1-5-4-6(7(16)17)12-8(11-5)18-10-14-13-9(19-10)15(2)3/h4H,1-3H3,(H,16,17)
InChIKeyXGTHEVKOPXNONV-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.55
Rot. Bonds4

About 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-6-methylpyrimidine-4-carboxylic acid

2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-6-methylpyrimidine-4-carboxylic acid (PubChem CID 107555246) has the molecular formula C10H11N5O2S2 and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-6-methylpyrimidine-4-carboxylic acid
PubChem CID107555246
Molecular FormulaC10H11N5O2S2
Molecular Weight297.37 g/mol
Exact Mass297.04
IUPAC Name2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(Sc2nnc(N(C)C)s2)n1
InChIInChI=1S/C10H11N5O2S2/c1-5-4-6(7(16)17)12-8(11-5)18-10-14-13-9(19-10)15(2)3/h4H,1-3H3,(H,16,17)
InChIKeyXGTHEVKOPXNONV-UHFFFAOYSA-N
XLogP1.55
TPSA92.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-2-carboxylic acid
CID 63736937
6-methyl-2-phenylsulfanylpyrimidine-4-carboxylic acid
CID 107555102
2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid
CID 63739046
6-methyl-2-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-4-carboxylic acid
CID 107555192
5-amino-6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid
CID 81440111
5-chloro-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-4-carboxylic acid
CID 114920144
5-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80931417
5-[[4-(aminomethyl)-6-methyl-2-pyridinyl]sulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 114769899
2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-methoxybenzoic acid
CID 81309694
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-6-methylpyrimidine-4-carboxylic acid
CID 107555286
4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-nitrobenzoic acid
CID 104500013
N,N-dimethyl-5-[6-methyl-2-(propylamino)pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 80883438

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-6-methylpyrimidine-4-carboxylic acid (CID 107555246) is 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-6-methylpyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(Sc2nnc(N(C)C)s2)n1.
What is the InChIKey of 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is XGTHEVKOPXNONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S2/c1-5-4-6(7(16)17)12-8(11-5)18-10-14-13-9(19-10)15(2)3/h4H,1-3H3,(H,16,17).
What are the key properties of 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-6-methylpyrimidine-4-carboxylic acid?
2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 297.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 107555246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).