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

C11H11N5O3S — CID 53368602

IUPAC3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(C)c1nnc(NC(=O)c2nccnc2C(=O)O)s1
InChIInChI=1S/C11H11N5O3S/c1-5(2)9-15-16-11(20-9)14-8(17)6-7(10(18)19)13-4-3-12-6/h3-5H,1-2H3,(H,18,19)(H,14,16,17)
InChIKeyLVZXOHRFJPJFBR-UHFFFAOYSA-N
MW293.31 g/mol
LogP1.40
Rot. Bonds4

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

3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 53368602) has the molecular formula C11H11N5O3S and a molecular weight of 293.31 g/mol. Its IUPAC name is 3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID53368602
Molecular FormulaC11H11N5O3S
Molecular Weight293.31 g/mol
Exact Mass293.06
IUPAC Name3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(C)c1nnc(NC(=O)c2nccnc2C(=O)O)s1
InChIInChI=1S/C11H11N5O3S/c1-5(2)9-15-16-11(20-9)14-8(17)6-7(10(18)19)13-4-3-12-6/h3-5H,1-2H3,(H,18,19)(H,14,16,17)
InChIKeyLVZXOHRFJPJFBR-UHFFFAOYSA-N
XLogP1.40
TPSA117.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 9247167
4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623816
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 24506360
4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 19225847
2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 47443739
2-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 47426169
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide
CID 24597682
2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1087655
4-N-tert-butyl-1-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide
CID 48851135
2,2-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 5151390
3-[(2-hydroxy-5-propan-2-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 135632821
3-bromo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 47233955

Frequently Asked Questions

What is the IUPAC name of 3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrazine-2-carboxylic acid (CID 53368602) is 3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrazine-2-carboxylic acid is CC(C)c1nnc(NC(=O)c2nccnc2C(=O)O)s1.
What is the InChIKey of 3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is LVZXOHRFJPJFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3S/c1-5(2)9-15-16-11(20-9)14-8(17)6-7(10(18)19)13-4-3-12-6/h3-5H,1-2H3,(H,18,19)(H,14,16,17).
What are the key properties of 3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrazine-2-carboxylic acid?
3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 293.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 53368602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).