(2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone

C18H19N5OS2 — CID 165426176

IUPAC(2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone
SMILESNc1nc(C2(c3ccccc3)CCN(C(=O)c3cnc(N)s3)CC2)cs1
InChIInChI=1S/C18H19N5OS2/c19-16-21-10-13(26-16)15(24)23-8-6-18(7-9-23,12-4-2-1-3-5-12)14-11-25-17(20)22-14/h1-5,10-11H,6-9H2,(H2,19,21)(H2,20,22)
InChIKeyTYDPRKIUWWYKCG-UHFFFAOYSA-N
MW385.52 g/mol
LogP2.99
Rot. Bonds3

About (2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone

(2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone (PubChem CID 165426176) has the molecular formula C18H19N5OS2 and a molecular weight of 385.52 g/mol. Its IUPAC name is (2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone
PubChem CID165426176
Molecular FormulaC18H19N5OS2
Molecular Weight385.52 g/mol
Exact Mass385.10
IUPAC Name(2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone
SMILESNc1nc(C2(c3ccccc3)CCN(C(=O)c3cnc(N)s3)CC2)cs1
InChIInChI=1S/C18H19N5OS2/c19-16-21-10-13(26-16)15(24)23-8-6-18(7-9-23,12-4-2-1-3-5-12)14-11-25-17(20)22-14/h1-5,10-11H,6-9H2,(H2,19,21)(H2,20,22)
InChIKeyTYDPRKIUWWYKCG-UHFFFAOYSA-N
XLogP2.99
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2-amino-1,3-thiazol-5-yl)-(4-imidazo[2,1-b][1,3]thiazol-6-yl-4-phenylpiperidin-1-yl)methanone
CID 165424702
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 165423923
(3-amino-1H-pyrazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone
CID 165418796
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 165419776
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 164691216
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[5-(difluoromethyl)-1H-pyrazol-3-yl]methanone
CID 165419680
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
CID 165423031
1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-pyrrolidin-1-ylpropan-1-one
CID 165418490
1-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 165426837
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone
CID 165420195
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone;dihydrochloride
CID 166599615
4-[1-(1,3-oxazol-2-yl)-4-phenylpiperidin-4-yl]-1,3-thiazol-2-amine
CID 165424878

Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone?
The IUPAC name of (2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone (CID 165426176) is (2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone?
The canonical SMILES for (2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone is Nc1nc(C2(c3ccccc3)CCN(C(=O)c3cnc(N)s3)CC2)cs1.
What is the InChIKey of (2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone?
The InChIKey is TYDPRKIUWWYKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS2/c19-16-21-10-13(26-16)15(24)23-8-6-18(7-9-23,12-4-2-1-3-5-12)14-11-25-17(20)22-14/h1-5,10-11H,6-9H2,(H2,19,21)(H2,20,22).
What are the key properties of (2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone?
(2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone has a molecular weight of 385.52 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-thiazol-5-yl)-[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone is sourced from PubChem (CID 165426176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).