4-(3,4-difluorophenyl)-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine

C18H17F2N5OS — CID 87770282

IUPAC4-(3,4-difluorophenyl)-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(Nc3cc(OC4CCNCC4)ncn3)n2)cc1F
InChIInChI=1S/C18H17F2N5OS/c19-13-2-1-11(7-14(13)20)15-9-27-18(24-15)25-16-8-17(23-10-22-16)26-12-3-5-21-6-4-12/h1-2,7-10,12,21H,3-6H2,(H,22,23,24,25)
InChIKeyKSCZWOORRZEISV-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.75
Rot. Bonds5

About 4-(3,4-difluorophenyl)-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine

4-(3,4-difluorophenyl)-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine (PubChem CID 87770282) has the molecular formula C18H17F2N5OS and a molecular weight of 389.43 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine
PubChem CID87770282
Molecular FormulaC18H17F2N5OS
Molecular Weight389.43 g/mol
Exact Mass389.11
IUPAC Name4-(3,4-difluorophenyl)-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(Nc3cc(OC4CCNCC4)ncn3)n2)cc1F
InChIInChI=1S/C18H17F2N5OS/c19-13-2-1-11(7-14(13)20)15-9-27-18(24-15)25-16-8-17(23-10-22-16)26-12-3-5-21-6-4-12/h1-2,7-10,12,21H,3-6H2,(H,22,23,24,25)
InChIKeyKSCZWOORRZEISV-UHFFFAOYSA-N
XLogP3.75
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-difluorophenyl)-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine (CID 87770282) is 4-(3,4-difluorophenyl)-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-difluorophenyl)-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-difluorophenyl)-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine is Fc1ccc(-c2csc(Nc3cc(OC4CCNCC4)ncn3)n2)cc1F.
What is the InChIKey of 4-(3,4-difluorophenyl)-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine?
The InChIKey is KSCZWOORRZEISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5OS/c19-13-2-1-11(7-14(13)20)15-9-27-18(24-15)25-16-8-17(23-10-22-16)26-12-3-5-21-6-4-12/h1-2,7-10,12,21H,3-6H2,(H,22,23,24,25).
What are the key properties of 4-(3,4-difluorophenyl)-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine?
4-(3,4-difluorophenyl)-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 389.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-N-(6-piperidin-4-yloxypyrimidin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 87770282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).