N-methoxy-4-propylthiadiazole-5-carboxamide

C7H11N3O2S — CID 65210001

IUPACN-methoxy-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NOC
InChIInChI=1S/C7H11N3O2S/c1-3-4-5-6(13-10-8-5)7(11)9-12-2/h3-4H2,1-2H3,(H,9,11)
InChIKeyDMEDSHUIKCACGS-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.78
Rot. Bonds4

About N-methoxy-4-propylthiadiazole-5-carboxamide

N-methoxy-4-propylthiadiazole-5-carboxamide (PubChem CID 65210001) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is N-methoxy-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-methoxy-4-propylthiadiazole-5-carboxamide
PubChem CID65210001
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC NameN-methoxy-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NOC
InChIInChI=1S/C7H11N3O2S/c1-3-4-5-6(13-10-8-5)7(11)9-12-2/h3-4H2,1-2H3,(H,9,11)
InChIKeyDMEDSHUIKCACGS-UHFFFAOYSA-N
XLogP0.78
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(1-Fluoroethyl)thiadiazole-5-carboxamide
CID 70190296
4-ethyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
CID 81343431
4-propan-2-yl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
CID 82722344
4-propyl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
CID 82722345
4-Isopropyl-1,2,3-thiadiazole-5-carboxamide
CID 17984106
4-Ethyl-1,2,3-thiadiazole-5-carboxamide
CID 45084470
4-Propylthiadiazole-5-carbohydrazide
CID 65205659
4-Cyclopropyl-1,2,3-thiadiazole-5-carboxamide
CID 68420889
4-cyclopropyl-N-methoxythiadiazole-5-carboxamide
CID 130718638
N-ethoxy-4-ethylthiadiazole-5-carboxamide
CID 43048038
4-ethyl-N-methoxy-N-methylthiadiazole-5-carboxamide
CID 60666146
4-ethyl-N-methoxythiadiazole-5-carboxamide
CID 60701188

Frequently Asked Questions

What is the IUPAC name of N-methoxy-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-methoxy-4-propylthiadiazole-5-carboxamide (CID 65210001) is N-methoxy-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-methoxy-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-methoxy-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NOC.
What is the InChIKey of N-methoxy-4-propylthiadiazole-5-carboxamide?
The InChIKey is DMEDSHUIKCACGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-3-4-5-6(13-10-8-5)7(11)9-12-2/h3-4H2,1-2H3,(H,9,11).
What are the key properties of N-methoxy-4-propylthiadiazole-5-carboxamide?
N-methoxy-4-propylthiadiazole-5-carboxamide has a molecular weight of 201.25 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 65210001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).