5-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]carbamoyl]pyrazine-2-carboxylic acid

C12H11N5O3S — CID 136552230

IUPAC5-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)Nc2nc(CC3CC3)ns2)cn1
InChIInChI=1S/C12H11N5O3S/c18-10(7-4-14-8(5-13-7)11(19)20)16-12-15-9(17-21-12)3-6-1-2-6/h4-6H,1-3H2,(H,19,20)(H,15,16,17,18)
InChIKeyNAVUSNQTLHJPEI-UHFFFAOYSA-N
MW305.32 g/mol
LogP1.23
Rot. Bonds5

About 5-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]carbamoyl]pyrazine-2-carboxylic acid

5-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 136552230) has the molecular formula C12H11N5O3S and a molecular weight of 305.32 g/mol. Its IUPAC name is 5-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]carbamoyl]pyrazine-2-carboxylic acid
PubChem CID136552230
Molecular FormulaC12H11N5O3S
Molecular Weight305.32 g/mol
Exact Mass305.06
IUPAC Name5-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]carbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)Nc2nc(CC3CC3)ns2)cn1
InChIInChI=1S/C12H11N5O3S/c18-10(7-4-14-8(5-13-7)11(19)20)16-12-15-9(17-21-12)3-6-1-2-6/h4-6H,1-3H2,(H,19,20)(H,15,16,17,18)
InChIKeyNAVUSNQTLHJPEI-UHFFFAOYSA-N
XLogP1.23
TPSA117.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]carbamoyl]pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]carbamoyl]pyrazine-2-carboxylic acid (CID 136552230) is 5-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]carbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)Nc2nc(CC3CC3)ns2)cn1.
What is the InChIKey of 5-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is NAVUSNQTLHJPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3S/c18-10(7-4-14-8(5-13-7)11(19)20)16-12-15-9(17-21-12)3-6-1-2-6/h4-6H,1-3H2,(H,19,20)(H,15,16,17,18).
What are the key properties of 5-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]carbamoyl]pyrazine-2-carboxylic acid?
5-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 305.32 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(cyclopropylmethyl)-1,2,4-thiadiazol-5-yl]carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 136552230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).