1-(2-chlorophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide

C16H16ClN3O2S — CID 110439820

IUPAC1-(2-chlorophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1nnc(C2CCCO2)s1)C1(c2ccccc2Cl)CC1
InChIInChI=1S/C16H16ClN3O2S/c17-11-5-2-1-4-10(11)16(7-8-16)14(21)18-15-20-19-13(23-15)12-6-3-9-22-12/h1-2,4-5,12H,3,6-9H2,(H,18,20,21)
InChIKeyCLNTVMFXYMFVPM-UHFFFAOYSA-N
MW349.84 g/mol
LogP3.71
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide

1-(2-chlorophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide (PubChem CID 110439820) has the molecular formula C16H16ClN3O2S and a molecular weight of 349.84 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
PubChem CID110439820
Molecular FormulaC16H16ClN3O2S
Molecular Weight349.84 g/mol
Exact Mass349.07
IUPAC Name1-(2-chlorophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1nnc(C2CCCO2)s1)C1(c2ccccc2Cl)CC1
InChIInChI=1S/C16H16ClN3O2S/c17-11-5-2-1-4-10(11)16(7-8-16)14(21)18-15-20-19-13(23-15)12-6-3-9-22-12/h1-2,4-5,12H,3,6-9H2,(H,18,20,21)
InChIKeyCLNTVMFXYMFVPM-UHFFFAOYSA-N
XLogP3.71
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide (CID 110439820) is 1-(2-chlorophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide is O=C(Nc1nnc(C2CCCO2)s1)C1(c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide?
The InChIKey is CLNTVMFXYMFVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2S/c17-11-5-2-1-4-10(11)16(7-8-16)14(21)18-15-20-19-13(23-15)12-6-3-9-22-12/h1-2,4-5,12H,3,6-9H2,(H,18,20,21).
What are the key properties of 1-(2-chlorophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide?
1-(2-chlorophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide has a molecular weight of 349.84 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 110439820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).