3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-1-methyl-1-piperidin-4-ylurea

C15H18FN5OS — CID 20829913

IUPAC3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-1-methyl-1-piperidin-4-ylurea
SMILESCN(C(=O)Nc1nnc(-c2cccc(F)c2)s1)C1CCNCC1
InChIInChI=1S/C15H18FN5OS/c1-21(12-5-7-17-8-6-12)15(22)18-14-20-19-13(23-14)10-3-2-4-11(16)9-10/h2-4,9,12,17H,5-8H2,1H3,(H,18,20,22)
InChIKeyABCSBJVNSVDLSZ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.56
Rot. Bonds3

About 3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-1-methyl-1-piperidin-4-ylurea

3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-1-methyl-1-piperidin-4-ylurea (PubChem CID 20829913) has the molecular formula C15H18FN5OS and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-1-methyl-1-piperidin-4-ylurea.

Molecular Properties

Compound Name3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-1-methyl-1-piperidin-4-ylurea
PubChem CID20829913
Molecular FormulaC15H18FN5OS
Molecular Weight335.41 g/mol
Exact Mass335.12
IUPAC Name3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-1-methyl-1-piperidin-4-ylurea
SMILESCN(C(=O)Nc1nnc(-c2cccc(F)c2)s1)C1CCNCC1
InChIInChI=1S/C15H18FN5OS/c1-21(12-5-7-17-8-6-12)15(22)18-14-20-19-13(23-14)10-3-2-4-11(16)9-10/h2-4,9,12,17H,5-8H2,1H3,(H,18,20,22)
InChIKeyABCSBJVNSVDLSZ-UHFFFAOYSA-N
XLogP2.56
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[N'-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]carbamimidoyl]-3-[1-(3-fluorophenyl)ethyl]urea;dihydrochloride
CID 168281745
1-[N'-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]carbamimidoyl]-3-[(1R)-1-phenylethyl]urea;dihydrochloride
CID 168297278
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 6468720
N-(5-Ethyl-1,3,4-thiadiazol-2-YL)-2-[4-(3-fluorobenzyl)-1-piperazinyl]acetamide
CID 17378576
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(1-piperidinyl)acetamide
CID 818161
1-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]urea
CID 45898214
(2R)-N-[5-(4-Fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(cinnamoyl)amino]-propanamide
CID 25115357
(5-Phenyl-[1,3,4]thiadiazol-2-yl)-(2-piperidin-1-yl-ethyl)-amine
CID 44376811
1-[(3,5-Difluorophenyl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 45821075
1-[(4-Fluorophenyl)methyl]-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 45821109
N-(1-benzylpiperidin-4-yl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 45821110
4-methyl-2-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
CID 45821436

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-1-methyl-1-piperidin-4-ylurea?
The IUPAC name of 3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-1-methyl-1-piperidin-4-ylurea (CID 20829913) is 3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-1-methyl-1-piperidin-4-ylurea.
What is the SMILES notation for 3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-1-methyl-1-piperidin-4-ylurea?
The canonical SMILES for 3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-1-methyl-1-piperidin-4-ylurea is CN(C(=O)Nc1nnc(-c2cccc(F)c2)s1)C1CCNCC1.
What is the InChIKey of 3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-1-methyl-1-piperidin-4-ylurea?
The InChIKey is ABCSBJVNSVDLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5OS/c1-21(12-5-7-17-8-6-12)15(22)18-14-20-19-13(23-14)10-3-2-4-11(16)9-10/h2-4,9,12,17H,5-8H2,1H3,(H,18,20,22).
What are the key properties of 3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-1-methyl-1-piperidin-4-ylurea?
3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-1-methyl-1-piperidin-4-ylurea has a molecular weight of 335.41 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-fluorophenyl)-1,3,4-thiadiazol-2-yl]-1-methyl-1-piperidin-4-ylurea is sourced from PubChem (CID 20829913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).