[4-amino-2-(piperidin-4-ylamino)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone

C15H17FN4OS — CID 11951611

IUPAC[4-amino-2-(piperidin-4-ylamino)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
SMILESNc1nc(NC2CCNCC2)sc1C(=O)c1cccc(F)c1
InChIInChI=1S/C15H17FN4OS/c16-10-3-1-2-9(8-10)12(21)13-14(17)20-15(22-13)19-11-4-6-18-7-5-11/h1-3,8,11,18H,4-7,17H2,(H,19,20)
InChIKeyHPQKSLQZUSVAHA-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.26
Rot. Bonds4

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

[4-amino-2-(piperidin-4-ylamino)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone (PubChem CID 11951611) has the molecular formula C15H17FN4OS and a molecular weight of 320.39 g/mol. Its IUPAC name is [4-amino-2-(piperidin-4-ylamino)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-(piperidin-4-ylamino)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
PubChem CID11951611
Molecular FormulaC15H17FN4OS
Molecular Weight320.39 g/mol
Exact Mass320.11
IUPAC Name[4-amino-2-(piperidin-4-ylamino)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone
SMILESNc1nc(NC2CCNCC2)sc1C(=O)c1cccc(F)c1
InChIInChI=1S/C15H17FN4OS/c16-10-3-1-2-9(8-10)12(21)13-14(17)20-15(22-13)19-11-4-6-18-7-5-11/h1-3,8,11,18H,4-7,17H2,(H,19,20)
InChIKeyHPQKSLQZUSVAHA-UHFFFAOYSA-N
XLogP2.26
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(piperidin-4-ylamino)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-amino-2-(piperidin-4-ylamino)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone (CID 11951611) is [4-amino-2-(piperidin-4-ylamino)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-amino-2-(piperidin-4-ylamino)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-amino-2-(piperidin-4-ylamino)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone is Nc1nc(NC2CCNCC2)sc1C(=O)c1cccc(F)c1.
What is the InChIKey of [4-amino-2-(piperidin-4-ylamino)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone?
The InChIKey is HPQKSLQZUSVAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4OS/c16-10-3-1-2-9(8-10)12(21)13-14(17)20-15(22-13)19-11-4-6-18-7-5-11/h1-3,8,11,18H,4-7,17H2,(H,19,20).
What are the key properties of [4-amino-2-(piperidin-4-ylamino)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone?
[4-amino-2-(piperidin-4-ylamino)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone has a molecular weight of 320.39 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(piperidin-4-ylamino)-1,3-thiazol-5-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 11951611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).