N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

C13H13N5OS2 — CID 18134966

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)Nc3nnc(C4CC4)s3)cc12
InChIInChI=1S/C13H13N5OS2/c1-6-8-5-9(20-12(8)18(2)17-6)10(19)14-13-16-15-11(21-13)7-3-4-7/h5,7H,3-4H2,1-2H3,(H,14,16,19)
InChIKeyBOQYVLBXDWBCQV-UHFFFAOYSA-N
MW319.42 g/mol
LogP2.92
Rot. Bonds3

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 18134966) has the molecular formula C13H13N5OS2 and a molecular weight of 319.42 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID18134966
Molecular FormulaC13H13N5OS2
Molecular Weight319.42 g/mol
Exact Mass319.06
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)Nc3nnc(C4CC4)s3)cc12
InChIInChI=1S/C13H13N5OS2/c1-6-8-5-9(20-12(8)18(2)17-6)10(19)14-13-16-15-11(21-13)7-3-4-7/h5,7H,3-4H2,1-2H3,(H,14,16,19)
InChIKeyBOQYVLBXDWBCQV-UHFFFAOYSA-N
XLogP2.92
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide with MolForge

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839752
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 16599345
N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708571
N-(3,5-dimethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304581
1,3-dimethyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 120644383
N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60706910
N-(2-ethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304599
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 119457590
N-(2-amino-1-cyclohexylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 119590742
1,3-dimethyl-N-(1H-1,2,4-triazol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 61216622
1,3-dimethyl-N-(4-methylsulfanylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51314909
1,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 78927998

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (CID 18134966) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)Nc3nnc(C4CC4)s3)cc12.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is BOQYVLBXDWBCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS2/c1-6-8-5-9(20-12(8)18(2)17-6)10(19)14-13-16-15-11(21-13)7-3-4-7/h5,7H,3-4H2,1-2H3,(H,14,16,19).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 319.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 18134966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).