N-[3-(2-chloro-3-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-(cyclopropylmethoxy)acetamide

C13H13ClN4O2S — CID 126832483

IUPACN-[3-(2-chloro-3-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-(cyclopropylmethoxy)acetamide
SMILESO=C(COCC1CC1)Nc1nc(-c2cccnc2Cl)ns1
InChIInChI=1S/C13H13ClN4O2S/c14-11-9(2-1-5-15-11)12-17-13(21-18-12)16-10(19)7-20-6-8-3-4-8/h1-2,5,8H,3-4,6-7H2,(H,16,17,18,19)
InChIKeyMDAIXQLOMHWIDO-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.62
Rot. Bonds6

About N-[3-(2-chloro-3-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-(cyclopropylmethoxy)acetamide

N-[3-(2-chloro-3-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-(cyclopropylmethoxy)acetamide (PubChem CID 126832483) has the molecular formula C13H13ClN4O2S and a molecular weight of 324.79 g/mol. Its IUPAC name is N-[3-(2-chloro-3-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-(cyclopropylmethoxy)acetamide.

Molecular Properties

Compound NameN-[3-(2-chloro-3-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-(cyclopropylmethoxy)acetamide
PubChem CID126832483
Molecular FormulaC13H13ClN4O2S
Molecular Weight324.79 g/mol
Exact Mass324.04
IUPAC NameN-[3-(2-chloro-3-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-(cyclopropylmethoxy)acetamide
SMILESO=C(COCC1CC1)Nc1nc(-c2cccnc2Cl)ns1
InChIInChI=1S/C13H13ClN4O2S/c14-11-9(2-1-5-15-11)12-17-13(21-18-12)16-10(19)7-20-6-8-3-4-8/h1-2,5,8H,3-4,6-7H2,(H,16,17,18,19)
InChIKeyMDAIXQLOMHWIDO-UHFFFAOYSA-N
XLogP2.62
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloro-3-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-(cyclopropylmethoxy)acetamide?
The IUPAC name of N-[3-(2-chloro-3-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-(cyclopropylmethoxy)acetamide (CID 126832483) is N-[3-(2-chloro-3-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-(cyclopropylmethoxy)acetamide.
What is the SMILES notation for N-[3-(2-chloro-3-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-(cyclopropylmethoxy)acetamide?
The canonical SMILES for N-[3-(2-chloro-3-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-(cyclopropylmethoxy)acetamide is O=C(COCC1CC1)Nc1nc(-c2cccnc2Cl)ns1.
What is the InChIKey of N-[3-(2-chloro-3-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-(cyclopropylmethoxy)acetamide?
The InChIKey is MDAIXQLOMHWIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2S/c14-11-9(2-1-5-15-11)12-17-13(21-18-12)16-10(19)7-20-6-8-3-4-8/h1-2,5,8H,3-4,6-7H2,(H,16,17,18,19).
What are the key properties of N-[3-(2-chloro-3-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-(cyclopropylmethoxy)acetamide?
N-[3-(2-chloro-3-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-(cyclopropylmethoxy)acetamide has a molecular weight of 324.79 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-3-pyridinyl)-1,2,4-thiadiazol-5-yl]-2-(cyclopropylmethoxy)acetamide is sourced from PubChem (CID 126832483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).