5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide

C10H14ClN3O2S — CID 80619069

IUPAC5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCN(CCOCC1CC1)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C10H14ClN3O2S/c1-14(4-5-16-6-7-2-3-7)9(15)8-12-13-10(11)17-8/h7H,2-6H2,1H3
InChIKeyFXMWNQHYKDTCFD-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.69
Rot. Bonds6

About 5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80619069) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is 5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID80619069
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
SMILESCN(CCOCC1CC1)C(=O)c1nnc(Cl)s1
InChIInChI=1S/C10H14ClN3O2S/c1-14(4-5-16-6-7-2-3-7)9(15)8-12-13-10(11)17-8/h7H,2-6H2,1H3
InChIKeyFXMWNQHYKDTCFD-UHFFFAOYSA-N
XLogP1.69
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide (CID 80619069) is 5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide is CN(CCOCC1CC1)C(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is FXMWNQHYKDTCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c1-14(4-5-16-6-7-2-3-7)9(15)8-12-13-10(11)17-8/h7H,2-6H2,1H3.
What are the key properties of 5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 275.76 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80619069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).