1-[2-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea

C20H24N4O2S — CID 146366374

IUPAC1-[2-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea
SMILESO=C(Nc1csc(-c2ccc(C3=CCOCC3)cc2)n1)N[C@H]1CCCNC1
InChIInChI=1S/C20H24N4O2S/c25-20(22-17-2-1-9-21-12-17)24-18-13-27-19(23-18)16-5-3-14(4-6-16)15-7-10-26-11-8-15/h3-7,13,17,21H,1-2,8-12H2,(H2,22,24,25)/t17-/m0/s1
InChIKeyNNXZTHQCCJIJOD-KRWDZBQOSA-N
MW384.51 g/mol
LogP3.49
Rot. Bonds4

About 1-[2-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea

1-[2-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea (PubChem CID 146366374) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 1-[2-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea.

Molecular Properties

Compound Name1-[2-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea
PubChem CID146366374
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name1-[2-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea
SMILESO=C(Nc1csc(-c2ccc(C3=CCOCC3)cc2)n1)N[C@H]1CCCNC1
InChIInChI=1S/C20H24N4O2S/c25-20(22-17-2-1-9-21-12-17)24-18-13-27-19(23-18)16-5-3-14(4-6-16)15-7-10-26-11-8-15/h3-7,13,17,21H,1-2,8-12H2,(H2,22,24,25)/t17-/m0/s1
InChIKeyNNXZTHQCCJIJOD-KRWDZBQOSA-N
XLogP3.49
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methoxyphenyl]-1,3-thiazol-4-yl]-3-[(3S)-1-(2-fluoroethyl)piperidin-3-yl]urea
CID 146347029
1-[2-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methoxyphenyl]-1,3-thiazol-4-yl]-3-[1-(2-fluoroethyl)piperidin-3-yl]urea
CID 146347030
1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea
CID 146347034
1-[2-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methoxyphenyl]-1,3-thiazol-4-yl]-3-[(3S,4R)-4-fluoropiperidin-3-yl]urea
CID 146366174
1-[2-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methoxyphenyl]-1,3-thiazol-4-yl]-3-[(3R,4S)-4-fluoropiperidin-3-yl]urea
CID 146366175
1-[2-[4-(3,6-dihydro-2H-pyran-4-yl)-3-methoxyphenyl]-1,3-thiazol-4-yl]-3-(4-fluoropiperidin-3-yl)urea
CID 153401134
1-(1-methyl-2-piperidin-4-yl-2H-pyridin-6-yl)-3-(2-phenyl-1,3-thiazol-4-yl)urea
CID 70030416
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
(3S)-3-[carbamoyl-[2-[3-chloro-4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1,3-thiazol-4-yl]amino]piperidine-1-carboxylic acid
CID 146347039
(3S)-3-[[2-[3-chloro-4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1,3-thiazol-4-yl]carbamoylamino]piperidine-1-carboxylic acid
CID 146347041

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea?
The IUPAC name of 1-[2-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea (CID 146366374) is 1-[2-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea.
What is the SMILES notation for 1-[2-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea?
The canonical SMILES for 1-[2-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea is O=C(Nc1csc(-c2ccc(C3=CCOCC3)cc2)n1)N[C@H]1CCCNC1.
What is the InChIKey of 1-[2-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea?
The InChIKey is NNXZTHQCCJIJOD-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4O2S/c25-20(22-17-2-1-9-21-12-17)24-18-13-27-19(23-18)16-5-3-14(4-6-16)15-7-10-26-11-8-15/h3-7,13,17,21H,1-2,8-12H2,(H2,22,24,25)/t17-/m0/s1.
What are the key properties of 1-[2-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea?
1-[2-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea has a molecular weight of 384.51 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3,6-dihydro-2H-pyran-4-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea is sourced from PubChem (CID 146366374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).