1-(3-chlorophenyl)-3-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]urea

C13H13ClN4O2S — CID 19187582

IUPAC1-(3-chlorophenyl)-3-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1nnc(C2CCCO2)s1
InChIInChI=1S/C13H13ClN4O2S/c14-8-3-1-4-9(7-8)15-12(19)16-13-18-17-11(21-13)10-5-2-6-20-10/h1,3-4,7,10H,2,5-6H2,(H2,15,16,18,19)
InChIKeyGGVVBNFTSJEJHQ-UHFFFAOYSA-N
MW324.79 g/mol
LogP3.69
Rot. Bonds3

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

1-(3-chlorophenyl)-3-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 19187582) has the molecular formula C13H13ClN4O2S and a molecular weight of 324.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID19187582
Molecular FormulaC13H13ClN4O2S
Molecular Weight324.79 g/mol
Exact Mass324.04
IUPAC Name1-(3-chlorophenyl)-3-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1nnc(C2CCCO2)s1
InChIInChI=1S/C13H13ClN4O2S/c14-8-3-1-4-9(7-8)15-12(19)16-13-18-17-11(21-13)10-5-2-6-20-10/h1,3-4,7,10H,2,5-6H2,(H2,15,16,18,19)
InChIKeyGGVVBNFTSJEJHQ-UHFFFAOYSA-N
XLogP3.69
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 51721207
1-(3-chlorophenyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)urea
CID 734405
1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]urea
CID 170578911
3-(3-chlorophenyl)-1-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyrazole-5-carboxamide
CID 95859488
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 734593
(E)-3-(4-chlorophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 19182062
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 45154366
(2S)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]oxolane-2-carboxamide
CID 35570023
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 19182049
1-(2-chlorophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 110439820
4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 39040742
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 51719641

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]urea (CID 19187582) is 1-(3-chlorophenyl)-3-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]urea is O=C(Nc1cccc(Cl)c1)Nc1nnc(C2CCCO2)s1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is GGVVBNFTSJEJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2S/c14-8-3-1-4-9(7-8)15-12(19)16-13-18-17-11(21-13)10-5-2-6-20-10/h1,3-4,7,10H,2,5-6H2,(H2,15,16,18,19).
What are the key properties of 1-(3-chlorophenyl)-3-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]urea?
1-(3-chlorophenyl)-3-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 324.79 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 19187582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).