(6S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine

C13H15FN4S — CID 146148952

IUPAC(6S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
SMILESCCc1ncnc(N[C@H]2CCc3ncsc3C2)c1F
InChIInChI=1S/C13H15FN4S/c1-2-9-12(14)13(16-6-15-9)18-8-3-4-10-11(5-8)19-7-17-10/h6-8H,2-5H2,1H3,(H,15,16,18)/t8-/m0/s1
InChIKeyUWINCLNRYHZSHZ-QMMMGPOBSA-N
MW278.36 g/mol
LogP2.60
Rot. Bonds3

About (6S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine

(6S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine (PubChem CID 146148952) has the molecular formula C13H15FN4S and a molecular weight of 278.36 g/mol. Its IUPAC name is (6S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name(6S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
PubChem CID146148952
Molecular FormulaC13H15FN4S
Molecular Weight278.36 g/mol
Exact Mass278.10
IUPAC Name(6S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
SMILESCCc1ncnc(N[C@H]2CCc3ncsc3C2)c1F
InChIInChI=1S/C13H15FN4S/c1-2-9-12(14)13(16-6-15-9)18-8-3-4-10-11(5-8)19-7-17-10/h6-8H,2-5H2,1H3,(H,15,16,18)/t8-/m0/s1
InChIKeyUWINCLNRYHZSHZ-QMMMGPOBSA-N
XLogP2.60
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The IUPAC name of (6S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine (CID 146148952) is (6S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine.
What is the SMILES notation for (6S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The canonical SMILES for (6S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine is CCc1ncnc(N[C@H]2CCc3ncsc3C2)c1F.
What is the InChIKey of (6S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The InChIKey is UWINCLNRYHZSHZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H15FN4S/c1-2-9-12(14)13(16-6-15-9)18-8-3-4-10-11(5-8)19-7-17-10/h6-8H,2-5H2,1H3,(H,15,16,18)/t8-/m0/s1.
What are the key properties of (6S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
(6S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine has a molecular weight of 278.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(6-ethyl-5-fluoropyrimidin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine is sourced from PubChem (CID 146148952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).