N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide

C16H19N3O3S — CID 3212712

IUPACN-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESCOCCN(C(=O)C1CC1)c1nnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C16H19N3O3S/c1-21-10-9-19(15(20)12-3-4-12)16-18-17-14(23-16)11-5-7-13(22-2)8-6-11/h5-8,12H,3-4,9-10H2,1-2H3
InChIKeyHJOBJBAYBGJAIH-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.60
Rot. Bonds7

About N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide

N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (PubChem CID 3212712) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
PubChem CID3212712
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
SMILESCOCCN(C(=O)C1CC1)c1nnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C16H19N3O3S/c1-21-10-9-19(15(20)12-3-4-12)16-18-17-14(23-16)11-5-7-13(22-2)8-6-11/h5-8,12H,3-4,9-10H2,1-2H3
InChIKeyHJOBJBAYBGJAIH-UHFFFAOYSA-N
XLogP2.60
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide (CID 3212712) is N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is COCCN(C(=O)C1CC1)c1nnc(-c2ccc(OC)cc2)s1.
What is the InChIKey of N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is HJOBJBAYBGJAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-21-10-9-19(15(20)12-3-4-12)16-18-17-14(23-16)11-5-7-13(22-2)8-6-11/h5-8,12H,3-4,9-10H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide?
N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 333.41 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 3212712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).