5-(4-fluorocyclohexa-1,5-dien-1-yl)-4-methyl-1,3-thiazol-2-amine

C10H11FN2S — CID 163609868

IUPAC5-(4-fluorocyclohexa-1,5-dien-1-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1C1=CCC(F)C=C1
InChIInChI=1S/C10H11FN2S/c1-6-9(14-10(12)13-6)7-2-4-8(11)5-3-7/h2-4,8H,5H2,1H3,(H2,12,13)
InChIKeyHEZGOJYJRQYYDZ-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.72
Rot. Bonds1

About 5-(4-fluorocyclohexa-1,5-dien-1-yl)-4-methyl-1,3-thiazol-2-amine

5-(4-fluorocyclohexa-1,5-dien-1-yl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 163609868) has the molecular formula C10H11FN2S and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-(4-fluorocyclohexa-1,5-dien-1-yl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(4-fluorocyclohexa-1,5-dien-1-yl)-4-methyl-1,3-thiazol-2-amine
PubChem CID163609868
Molecular FormulaC10H11FN2S
Molecular Weight210.28 g/mol
Exact Mass210.06
IUPAC Name5-(4-fluorocyclohexa-1,5-dien-1-yl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1C1=CCC(F)C=C1
InChIInChI=1S/C10H11FN2S/c1-6-9(14-10(12)13-6)7-2-4-8(11)5-3-7/h2-4,8H,5H2,1H3,(H2,12,13)
InChIKeyHEZGOJYJRQYYDZ-UHFFFAOYSA-N
XLogP2.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorocyclohexa-1,5-dien-1-yl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(4-fluorocyclohexa-1,5-dien-1-yl)-4-methyl-1,3-thiazol-2-amine (CID 163609868) is 5-(4-fluorocyclohexa-1,5-dien-1-yl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(4-fluorocyclohexa-1,5-dien-1-yl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(4-fluorocyclohexa-1,5-dien-1-yl)-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1C1=CCC(F)C=C1.
What is the InChIKey of 5-(4-fluorocyclohexa-1,5-dien-1-yl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is HEZGOJYJRQYYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2S/c1-6-9(14-10(12)13-6)7-2-4-8(11)5-3-7/h2-4,8H,5H2,1H3,(H2,12,13).
What are the key properties of 5-(4-fluorocyclohexa-1,5-dien-1-yl)-4-methyl-1,3-thiazol-2-amine?
5-(4-fluorocyclohexa-1,5-dien-1-yl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 210.28 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorocyclohexa-1,5-dien-1-yl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 163609868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).