(3,4-difluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanamine

C14H10F2N4S — CID 46948560

IUPAC(3,4-difluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanamine
SMILESNC(c1ccc(F)c(F)c1)c1nc(-c2cncnc2)cs1
InChIInChI=1S/C14H10F2N4S/c15-10-2-1-8(3-11(10)16)13(17)14-20-12(6-21-14)9-4-18-7-19-5-9/h1-7,13H,17H2
InChIKeyOTJQKIYCNTYXLO-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.93
Rot. Bonds3

About (3,4-difluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanamine

(3,4-difluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanamine (PubChem CID 46948560) has the molecular formula C14H10F2N4S and a molecular weight of 304.33 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanamine
PubChem CID46948560
Molecular FormulaC14H10F2N4S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC Name(3,4-difluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanamine
SMILESNC(c1ccc(F)c(F)c1)c1nc(-c2cncnc2)cs1
InChIInChI=1S/C14H10F2N4S/c15-10-2-1-8(3-11(10)16)13(17)14-20-12(6-21-14)9-4-18-7-19-5-9/h1-7,13H,17H2
InChIKeyOTJQKIYCNTYXLO-UHFFFAOYSA-N
XLogP2.93
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (3,4-difluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanamine (CID 46948560) is (3,4-difluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (3,4-difluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (3,4-difluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanamine is NC(c1ccc(F)c(F)c1)c1nc(-c2cncnc2)cs1.
What is the InChIKey of (3,4-difluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanamine?
The InChIKey is OTJQKIYCNTYXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4S/c15-10-2-1-8(3-11(10)16)13(17)14-20-12(6-21-14)9-4-18-7-19-5-9/h1-7,13H,17H2.
What are the key properties of (3,4-difluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanamine?
(3,4-difluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanamine has a molecular weight of 304.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(4-pyrimidin-5-yl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 46948560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).