1-[2-[4-(3-methyloxetan-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea

C19H24N4O2S — CID 146366177

IUPAC1-[2-[4-(3-methyloxetan-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea
SMILESCC1(c2ccc(-c3nc(NC(=O)N[C@H]4CCCNC4)cs3)cc2)COC1
InChIInChI=1S/C19H24N4O2S/c1-19(11-25-12-19)14-6-4-13(5-7-14)17-22-16(10-26-17)23-18(24)21-15-3-2-8-20-9-15/h4-7,10,15,20H,2-3,8-9,11-12H2,1H3,(H2,21,23,24)/t15-/m0/s1
InChIKeyWBPFOPORTFPMOQ-HNNXBMFYSA-N
MW372.49 g/mol
LogP2.97
Rot. Bonds4

About 1-[2-[4-(3-methyloxetan-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea

1-[2-[4-(3-methyloxetan-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea (PubChem CID 146366177) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-[2-[4-(3-methyloxetan-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea.

Molecular Properties

Compound Name1-[2-[4-(3-methyloxetan-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea
PubChem CID146366177
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name1-[2-[4-(3-methyloxetan-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea
SMILESCC1(c2ccc(-c3nc(NC(=O)N[C@H]4CCCNC4)cs3)cc2)COC1
InChIInChI=1S/C19H24N4O2S/c1-19(11-25-12-19)14-6-4-13(5-7-14)17-22-16(10-26-17)23-18(24)21-15-3-2-8-20-9-15/h4-7,10,15,20H,2-3,8-9,11-12H2,1H3,(H2,21,23,24)/t15-/m0/s1
InChIKeyWBPFOPORTFPMOQ-HNNXBMFYSA-N
XLogP2.97
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea
CID 146347034
tert-butyl (3S)-3-[[2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]carbamoylamino]piperidine-1-carboxylate
CID 146366265
1-[4-(4-Methylphenyl)-1,3-thiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 140122891
1-[2-[3-methyl-4-(oxan-4-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea
CID 146347027
1-[2-[3-Methyl-4-(oxan-4-yl)phenyl]-1,3-thiazol-4-yl]-3-piperidin-3-ylurea
CID 146347028
1-[2-[3-chloro-4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea
CID 146347068
1-[2-[3-chloro-4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1,3-thiazol-4-yl]-3-piperidin-3-ylurea
CID 146347069
1-[2-[3-methyl-4-(oxan-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea
CID 146347117
1-[2-[3-Methyl-4-(oxan-3-yl)phenyl]-1,3-thiazol-4-yl]-3-piperidin-3-ylurea
CID 146347120
1-[2-[4-(3,4-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea
CID 146365947
1-[2-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methylphenyl]-1,3-thiazol-4-yl]-3-[(3S)-1-methylpiperidin-3-yl]urea
CID 146366264
1-[2-[4-(3,6-dihydro-2H-pyran-4-yl)-3-ethylphenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea
CID 146366270

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-methyloxetan-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea?
The IUPAC name of 1-[2-[4-(3-methyloxetan-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea (CID 146366177) is 1-[2-[4-(3-methyloxetan-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea.
What is the SMILES notation for 1-[2-[4-(3-methyloxetan-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea?
The canonical SMILES for 1-[2-[4-(3-methyloxetan-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea is CC1(c2ccc(-c3nc(NC(=O)N[C@H]4CCCNC4)cs3)cc2)COC1.
What is the InChIKey of 1-[2-[4-(3-methyloxetan-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea?
The InChIKey is WBPFOPORTFPMOQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-19(11-25-12-19)14-6-4-13(5-7-14)17-22-16(10-26-17)23-18(24)21-15-3-2-8-20-9-15/h4-7,10,15,20H,2-3,8-9,11-12H2,1H3,(H2,21,23,24)/t15-/m0/s1.
What are the key properties of 1-[2-[4-(3-methyloxetan-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea?
1-[2-[4-(3-methyloxetan-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea has a molecular weight of 372.49 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-methyloxetan-3-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea is sourced from PubChem (CID 146366177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).