1-[2-[4-(3,4-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea

C20H24N4O2S — CID 146365947

IUPAC1-[2-[4-(3,4-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea
SMILESO=C(Nc1csc(-c2ccc(C3=COCCC3)cc2)n1)N[C@H]1CCCNC1
InChIInChI=1S/C20H24N4O2S/c25-20(22-17-4-1-9-21-11-17)24-18-13-27-19(23-18)15-7-5-14(6-8-15)16-3-2-10-26-12-16/h5-8,12-13,17,21H,1-4,9-11H2,(H2,22,24,25)/t17-/m0/s1
InChIKeyAPBIHILITTWZRB-KRWDZBQOSA-N
MW384.51 g/mol
LogP3.83
Rot. Bonds4

About 1-[2-[4-(3,4-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea

1-[2-[4-(3,4-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea (PubChem CID 146365947) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 1-[2-[4-(3,4-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea.

Molecular Properties

Compound Name1-[2-[4-(3,4-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea
PubChem CID146365947
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name1-[2-[4-(3,4-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea
SMILESO=C(Nc1csc(-c2ccc(C3=COCCC3)cc2)n1)N[C@H]1CCCNC1
InChIInChI=1S/C20H24N4O2S/c25-20(22-17-4-1-9-21-11-17)24-18-13-27-19(23-18)15-7-5-14(6-8-15)16-3-2-10-26-12-16/h5-8,12-13,17,21H,1-4,9-11H2,(H2,22,24,25)/t17-/m0/s1
InChIKeyAPBIHILITTWZRB-KRWDZBQOSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3,4-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea?
The IUPAC name of 1-[2-[4-(3,4-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea (CID 146365947) is 1-[2-[4-(3,4-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea.
What is the SMILES notation for 1-[2-[4-(3,4-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea?
The canonical SMILES for 1-[2-[4-(3,4-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea is O=C(Nc1csc(-c2ccc(C3=COCCC3)cc2)n1)N[C@H]1CCCNC1.
What is the InChIKey of 1-[2-[4-(3,4-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea?
The InChIKey is APBIHILITTWZRB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N4O2S/c25-20(22-17-4-1-9-21-11-17)24-18-13-27-19(23-18)15-7-5-14(6-8-15)16-3-2-10-26-12-16/h5-8,12-13,17,21H,1-4,9-11H2,(H2,22,24,25)/t17-/m0/s1.
What are the key properties of 1-[2-[4-(3,4-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea?
1-[2-[4-(3,4-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea has a molecular weight of 384.51 g/mol, XLogP of 3.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3,4-dihydro-2H-pyran-5-yl)phenyl]-1,3-thiazol-4-yl]-3-[(3S)-piperidin-3-yl]urea is sourced from PubChem (CID 146365947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).