1-[(3S)-3-aminopiperidin-1-yl]-3-(5-phenyl-1,3-thiazol-2-yl)urea

C15H19N5OS — CID 87823763

IUPAC1-[(3S)-3-aminopiperidin-1-yl]-3-(5-phenyl-1,3-thiazol-2-yl)urea
SMILESN[C@H]1CCCN(NC(=O)Nc2ncc(-c3ccccc3)s2)C1
InChIInChI=1S/C15H19N5OS/c16-12-7-4-8-20(10-12)19-14(21)18-15-17-9-13(22-15)11-5-2-1-3-6-11/h1-3,5-6,9,12H,4,7-8,10,16H2,(H2,17,18,19,21)/t12-/m0/s1
InChIKeyQCKOADSFWMOHNY-LBPRGKRZSA-N
MW317.42 g/mol
LogP2.27
Rot. Bonds3

About 1-[(3S)-3-aminopiperidin-1-yl]-3-(5-phenyl-1,3-thiazol-2-yl)urea

1-[(3S)-3-aminopiperidin-1-yl]-3-(5-phenyl-1,3-thiazol-2-yl)urea (PubChem CID 87823763) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 1-[(3S)-3-aminopiperidin-1-yl]-3-(5-phenyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(3S)-3-aminopiperidin-1-yl]-3-(5-phenyl-1,3-thiazol-2-yl)urea
PubChem CID87823763
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name1-[(3S)-3-aminopiperidin-1-yl]-3-(5-phenyl-1,3-thiazol-2-yl)urea
SMILESN[C@H]1CCCN(NC(=O)Nc2ncc(-c3ccccc3)s2)C1
InChIInChI=1S/C15H19N5OS/c16-12-7-4-8-20(10-12)19-14(21)18-15-17-9-13(22-15)11-5-2-1-3-6-11/h1-3,5-6,9,12H,4,7-8,10,16H2,(H2,17,18,19,21)/t12-/m0/s1
InChIKeyQCKOADSFWMOHNY-LBPRGKRZSA-N
XLogP2.27
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-aminopiperidin-1-yl]-3-(5-phenyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(3S)-3-aminopiperidin-1-yl]-3-(5-phenyl-1,3-thiazol-2-yl)urea (CID 87823763) is 1-[(3S)-3-aminopiperidin-1-yl]-3-(5-phenyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(3S)-3-aminopiperidin-1-yl]-3-(5-phenyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(3S)-3-aminopiperidin-1-yl]-3-(5-phenyl-1,3-thiazol-2-yl)urea is N[C@H]1CCCN(NC(=O)Nc2ncc(-c3ccccc3)s2)C1.
What is the InChIKey of 1-[(3S)-3-aminopiperidin-1-yl]-3-(5-phenyl-1,3-thiazol-2-yl)urea?
The InChIKey is QCKOADSFWMOHNY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N5OS/c16-12-7-4-8-20(10-12)19-14(21)18-15-17-9-13(22-15)11-5-2-1-3-6-11/h1-3,5-6,9,12H,4,7-8,10,16H2,(H2,17,18,19,21)/t12-/m0/s1.
What are the key properties of 1-[(3S)-3-aminopiperidin-1-yl]-3-(5-phenyl-1,3-thiazol-2-yl)urea?
1-[(3S)-3-aminopiperidin-1-yl]-3-(5-phenyl-1,3-thiazol-2-yl)urea has a molecular weight of 317.42 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-aminopiperidin-1-yl]-3-(5-phenyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 87823763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).