[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]urea

C20H20N4O2S — CID 9223949

IUPAC[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]urea
SMILESNC(=O)Nc1cccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1
InChIInChI=1S/C20H20N4O2S/c21-20(26)22-15-7-3-5-13(11-15)19(25)24-10-4-6-14(12-24)18-23-16-8-1-2-9-17(16)27-18/h1-3,5,7-9,11,14H,4,6,10,12H2,(H3,21,22,26)/t14-/m1/s1
InChIKeyZMGCYHVMEBPRTM-CQSZACIVSA-N
MW380.47 g/mol
LogP3.81
Rot. Bonds3

About [3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]urea

[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]urea (PubChem CID 9223949) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is [3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]urea.

Molecular Properties

Compound Name[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]urea
PubChem CID9223949
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]urea
SMILESNC(=O)Nc1cccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1
InChIInChI=1S/C20H20N4O2S/c21-20(26)22-15-7-3-5-13(11-15)19(25)24-10-4-6-14(12-24)18-23-16-8-1-2-9-17(16)27-18/h1-3,5,7-9,11,14H,4,6,10,12H2,(H3,21,22,26)/t14-/m1/s1
InChIKeyZMGCYHVMEBPRTM-CQSZACIVSA-N
XLogP3.81
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]urea with MolForge

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Related Compounds

[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-bromophenyl)methanone
CID 26755514
methyl 3-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]benzoate
CID 29133366
3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 9232722
3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 9232715
[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 16857612
[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-bromophenyl)methanone
CID 16857587
[3-[(3R)-3-(1-propan-2-ylbenzimidazol-2-yl)piperidine-1-carbonyl]phenyl]urea
CID 99808037
[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 43010643
3-[[2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetyl]amino]-N-ethylbenzamide
CID 8679962
1-[4-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9235019
N-[4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
CID 41184498
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methyl-4-nitrophenyl)methanone
CID 8796625

Frequently Asked Questions

What is the IUPAC name of [3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]urea?
The IUPAC name of [3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]urea (CID 9223949) is [3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]urea.
What is the SMILES notation for [3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]urea?
The canonical SMILES for [3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]urea is NC(=O)Nc1cccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1.
What is the InChIKey of [3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]urea?
The InChIKey is ZMGCYHVMEBPRTM-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20N4O2S/c21-20(26)22-15-7-3-5-13(11-15)19(25)24-10-4-6-14(12-24)18-23-16-8-1-2-9-17(16)27-18/h1-3,5,7-9,11,14H,4,6,10,12H2,(H3,21,22,26)/t14-/m1/s1.
What are the key properties of [3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]urea?
[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]urea has a molecular weight of 380.47 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]urea is sourced from PubChem (CID 9223949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).