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

C14H14ClN3O2S — CID 136516557

IUPACN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]oxane-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2Cl)s1)C1CCCCO1
InChIInChI=1S/C14H14ClN3O2S/c15-10-6-2-1-5-9(10)13-17-18-14(21-13)16-12(19)11-7-3-4-8-20-11/h1-2,5-6,11H,3-4,7-8H2,(H,16,18,19)
InChIKeyOVBCTSBPAYECGE-UHFFFAOYSA-N
MW323.81 g/mol
LogP3.37
Rot. Bonds3

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

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]oxane-2-carboxamide (PubChem CID 136516557) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]oxane-2-carboxamide
PubChem CID136516557
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC NameN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]oxane-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2Cl)s1)C1CCCCO1
InChIInChI=1S/C14H14ClN3O2S/c15-10-6-2-1-5-9(10)13-17-18-14(21-13)16-12(19)11-7-3-4-8-20-11/h1-2,5-6,11H,3-4,7-8H2,(H,16,18,19)
InChIKeyOVBCTSBPAYECGE-UHFFFAOYSA-N
XLogP3.37
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 119301292
(2S)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1225676
3-amino-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119745120
(2R)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1247340
N-[5-[2-[(2-chlorobenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 17193580
(2S)-N-[5-(1-benzofuran-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 99834661
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]oxolane-2-carboxamide
CID 71795593
(2R)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]oxolane-2-carboxamide
CID 97040610
2,2,2-tribromo-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19256598
5-(2-chlorophenyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 133468084
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119301279
4-(aminomethyl)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]oxane-4-carboxamide
CID 120927245

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]oxane-2-carboxamide?
The IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]oxane-2-carboxamide (CID 136516557) is N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]oxane-2-carboxamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]oxane-2-carboxamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]oxane-2-carboxamide is O=C(Nc1nnc(-c2ccccc2Cl)s1)C1CCCCO1.
What is the InChIKey of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]oxane-2-carboxamide?
The InChIKey is OVBCTSBPAYECGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c15-10-6-2-1-5-9(10)13-17-18-14(21-13)16-12(19)11-7-3-4-8-20-11/h1-2,5-6,11H,3-4,7-8H2,(H,16,18,19).
What are the key properties of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]oxane-2-carboxamide?
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]oxane-2-carboxamide has a molecular weight of 323.81 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]oxane-2-carboxamide is sourced from PubChem (CID 136516557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).